data_1wgu_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 1wgu _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 ' 15' ' ' VAL . . . . . 0.451 HG11 ' CE ' ' A' ' 17' ' ' LYS . 77.1 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' N ' HG12 ' A' ' 15' ' ' VAL . 17.1 mt-30 -118.51 109.69 16.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' CE ' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -104.62 131.18 52.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.77 115.65 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.49 100.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 56' ' ' VAL . 11.5 m -125.92 158.12 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.9 mt-30 -88.48 153.04 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -105.4 103.83 13.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 53' ' ' TRP . 0.9 OUTLIER -68.65 -46.92 67.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.19 -174.4 30.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.459 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 18.6 ttp -116.41 110.29 18.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -111.74 127.6 26.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 155.89 42.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.1 m -144.2 150.63 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.37 -50.14 8.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 115.28 53.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.33 16.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.29 142.68 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.39 160.04 9.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -101.49 -47.6 4.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.01 -60.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m -56.39 -42.38 77.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -53.52 -61.15 2.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -54.69 -51.52 65.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.2 t -47.27 -46.33 24.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.29 -56.43 22.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -52.22 -67.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -39.45 -40.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -61.05 -56.82 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.8 mt -61.72 -47.87 83.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 19.0 tttm -72.95 -50.55 22.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.2 -27.01 68.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.09 -37.75 88.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.513 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 11.0 m0 -61.36 127.22 87.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 108.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.08 18.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 102.47 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.439 HG22 ' CG1' ' A' ' 67' ' ' VAL . 4.5 m -111.73 175.33 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -121.79 140.8 51.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 tpp -102.78 103.89 14.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 22.0 t-20 -81.31 136.84 35.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.453 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 81.0 t -135.32 113.05 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.426 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -166.3 166.82 16.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t70 40.73 37.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.471 ' CB ' HG21 ' A' ' 82' ' ' VAL . . . 53.17 54.06 10.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.5 m -145.43 158.78 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -126.92 102.89 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.6 m -115.3 122.1 44.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.439 ' CG1' HG22 ' A' ' 56' ' ' VAL . 87.8 t -85.48 107.14 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 69' ' ' SER . 13.7 mt -99.38 145.29 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 6.2 t -62.01 177.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' N ' ' OG ' ' A' ' 69' ' ' SER . 7.1 tt0 -93.02 -42.47 9.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -95.89 47.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m120 172.43 111.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.61 1.68 50.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -106.28 -43.3 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.61 139.91 24.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.66 93.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 69' ' ' SER . 3.6 mt -56.88 -64.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.441 HG22 ' CE1' ' A' ' 111' ' ' HIS . 24.8 t -125.03 141.88 43.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -123.26 101.3 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.401 ' SG ' ' SD ' ' A' ' 101' ' ' MET . 94.7 m -113.08 150.06 32.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 108.26 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -126.92 141.9 51.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.471 HG21 ' CB ' ' A' ' 63' ' ' ALA . 5.8 m -62.24 -20.82 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -22.71 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.31 0.43 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.77 161.94 28.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.82 -43.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CD2' ' N ' ' A' ' 88' ' ' MET . 43.5 t80 -171.43 173.19 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.526 ' N ' ' CD2' ' A' ' 87' ' ' PHE . 16.9 ptp -172.24 -158.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 143.38 170.84 13.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 94' ' ' VAL . 73.5 t -91.45 125.7 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -61.91 -171.7 1.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -40.37 -65.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -75.99 147.44 38.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' CG1' ' A' ' 90' ' ' VAL . 21.2 m -76.59 -4.46 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.2 m80 -99.34 36.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.616 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 23.4 p -150.46 139.45 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.464 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 49.0 t80 -140.67 127.39 20.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -140.58 146.92 38.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 18.1 p90 -144.41 140.48 29.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 21.1 mt -88.0 123.14 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.401 ' SD ' ' SG ' ' A' ' 80' ' ' CYS . 26.1 ptm -110.01 165.03 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 t0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.414 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 31.5 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.505 0.193 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -120.85 134.66 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 19.0 t -110.21 112.08 23.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 78.7 m-70 -91.49 109.96 21.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.2 t -86.11 143.02 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 96.9 m-85 -146.78 164.69 31.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -120.25 116.52 25.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -115.69 144.71 43.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 108.306 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.488 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.0 mp0 -128.59 149.55 72.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.595 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.3 Cg_endo -75.0 -12.69 23.92 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.0 -0.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 118' ' ' ASN . 0.3 OUTLIER -157.1 148.27 21.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -81.59 51.62 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.49 -48.71 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -71.58 -42.15 68.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.6 t -59.64 -58.68 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 6.8 t -52.58 -41.48 63.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.9 -55.95 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -49.89 -34.18 19.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.459 HG13 ' CE ' ' A' ' 88' ' ' MET . 58.6 t -81.42 -44.44 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 123' ' ' SER . 4.6 mm100 -60.51 -54.79 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.23 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.469 ' CG2' ' HB1' ' A' ' 61' ' ' ALA . 93.9 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 27.5 mt-30 -121.94 110.03 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -102.53 125.07 49.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 81.4 m-85 -124.18 110.17 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.16 99.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 56' ' ' VAL . 3.3 m -127.69 162.57 33.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 31.0 mt-30 -88.49 161.89 16.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -113.57 102.15 10.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.575 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 1.2 mp -64.51 -45.99 84.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.69 169.98 11.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -97.64 135.79 38.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -135.69 127.47 17.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 146.93 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.3 m -142.12 146.71 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -56.92 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 118.33 62.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -11.64 21.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.45 174.93 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.56 148.9 20.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -35.39 17.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.05 -66.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.8 m -51.01 -47.81 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 tp -44.79 -68.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -50.36 -57.02 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.21 -47.12 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.45 -58.14 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.3 mt -52.02 -65.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -38.85 -37.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.89 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -49.56 -54.64 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 10.2 tttm -67.31 -52.85 35.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.41 -27.63 69.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -17.82 16.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.575 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 9.2 m0 -82.08 127.59 71.22 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.12 23.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.9 102.07 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' VAL . 12.1 m -111.06 171.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -116.03 136.68 52.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.446 ' HE2' ' CD2' ' A' ' 113' ' ' PHE . 10.0 tpp -99.64 107.37 19.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -85.31 137.3 33.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.0 t -135.39 110.68 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.469 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -167.25 168.17 13.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t0 41.53 37.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.466 ' CB ' HG23 ' A' ' 82' ' ' VAL . . . 50.77 51.89 16.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 80' ' ' CYS . 52.4 m -144.15 155.05 43.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' CG2' HG12 ' A' ' 126' ' ' VAL . 3.0 t -119.89 101.37 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.0 m -111.6 133.0 54.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.59 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 69' ' ' SER . 6.8 mt -95.88 143.89 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.419 ' N ' HG21 ' A' ' 68' ' ' ILE . 28.8 t -65.38 170.93 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.93 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.435 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 9.1 tt0 -97.4 -47.67 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -36.97 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -123.66 115.3 21.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.17 52.45 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -158.0 -44.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -52.77 119.03 4.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -94.94 93.15 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.89 -60.57 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.51 147.68 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -131.33 101.27 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.461 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.9 OUTLIER -108.51 150.39 27.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 108.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.424 ' CG ' HG23 ' A' ' 64' ' ' THR . 17.4 mtp85 -123.58 136.65 54.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.466 HG23 ' CB ' ' A' ' 63' ' ' ALA . 14.1 m -60.03 -18.99 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -81.03 -25.66 36.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.415 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -101.03 -8.45 22.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -65.33 161.06 20.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 72.2 m -124.23 -41.8 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CE2' ' O ' ' A' ' 88' ' ' MET . 42.6 t80 -177.35 172.69 1.83 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.529 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 15.3 ptp -169.56 -158.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 150.87 175.4 22.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.6 t -97.39 115.11 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -51.24 -175.79 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -40.78 -72.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.5 OUTLIER -64.43 164.08 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.7 m -86.84 -12.52 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.48 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -95.65 22.92 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 20.0 p -126.13 145.78 50.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 47.0 t80 -156.07 139.44 15.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.77 152.16 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 10.7 p90 -146.76 140.98 26.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.407 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 17.3 mt -88.23 121.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.406 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 26.7 ptm -110.93 161.42 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.407 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 19.1 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.433 0.159 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -114.08 134.49 54.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.2 t -111.96 108.75 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 76.9 m-70 -89.33 111.46 22.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.615 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.2 t -88.81 143.11 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.9 m-85 -146.65 162.33 38.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 15.8 t-105 -120.59 109.14 14.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 2.9 m -105.67 153.78 21.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 18.4 mt-10 -139.0 149.74 62.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -8.0 23.49 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.007 0.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -158.1 157.67 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.21 23.94 3.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.93 -40.71 65.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -76.81 -36.24 57.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 t -68.37 -66.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 13.7 t -46.42 -38.2 8.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.86 -49.66 64.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.64 -27.37 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.455 HG12 ' CG2' ' A' ' 65' ' ' VAL . 69.2 t -83.57 -42.98 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 123' ' ' SER . 5.7 mm-40 -64.36 -49.96 69.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.433 ' CG2' ' HB3' ' A' ' 61' ' ' ALA . 72.6 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.415 ' NE2' ' HB1' ' A' ' 125' ' ' ALA . 27.8 mt-30 -121.78 109.93 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -105.15 130.17 53.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -125.84 120.86 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 100.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 115' ' ' CYS . 17.8 m -128.28 156.32 40.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 58.4 mt-30 -88.57 143.54 26.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -94.46 114.93 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.572 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 1.6 mp -80.51 -44.43 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.04 177.24 17.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.478 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 21.4 ttp -108.76 113.58 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -109.75 127.43 27.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.52 36.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.39 166.67 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.43 -54.8 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 121.39 85.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.26 19.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -136.79 -172.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.15 155.5 32.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.56 -39.58 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.29 -62.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -53.46 -45.1 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tp -48.0 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -49.89 -50.15 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -49.5 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.69 -64.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.2 mt -41.71 -68.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -40.55 -43.68 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -52.52 -60.13 3.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.93 -59.26 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.542 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 15.5 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.55 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 1.7 tttt -77.59 -52.48 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.65 -28.33 69.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -58.68 -18.14 28.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.572 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 10.5 m0 -84.23 125.02 73.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.0 26.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.8 103.19 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 m -111.92 172.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -121.49 136.05 54.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.1 tpp -97.22 104.44 16.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 28.9 t-20 -80.79 137.59 36.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 71.5 t -135.21 103.66 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.433 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -159.3 168.29 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t0 40.25 32.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.444 ' CB ' HG22 ' A' ' 82' ' ' VAL . . . 54.87 53.75 10.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.444 HG21 ' CG ' ' A' ' 81' ' ' ARG . 55.3 m -144.9 153.87 42.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 80' ' ' CYS . 2.7 t -117.41 99.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.461 ' CG2' HG23 ' A' ' 76' ' ' VAL . 18.8 m -111.53 125.17 53.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.402 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 48.7 t -90.16 111.82 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.9 mt -107.12 157.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -71.05 166.75 20.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.22 -34.54 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -85.73 -90.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -47.24 156.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -116.36 -8.65 11.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.03 -20.79 13.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -70.35 102.16 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG23 ' CG2' ' A' ' 66' ' ' THR . 0.2 OUTLIER -99.85 95.81 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.52 -51.04 66.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' A' ' 111' ' ' HIS . 3.8 t -134.09 151.07 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -133.64 95.16 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 65' ' ' VAL . 66.6 m -104.43 150.48 24.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.444 ' CG ' HG21 ' A' ' 64' ' ' THR . 6.8 mtm180 -125.87 138.99 53.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.444 HG22 ' CB ' ' A' ' 63' ' ' ALA . 14.6 m -60.05 -19.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -22.96 40.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -105.52 0.33 26.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -75.23 157.7 34.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 m -122.65 -41.03 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 88' ' ' MET . 32.9 t80 -174.06 170.53 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.51 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 15.1 ptp -170.65 -158.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.061 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 146.15 177.64 20.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -97.92 119.56 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.35 -174.15 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -40.1 -73.74 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.797 . . . . 0.0 109.266 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.4 OUTLIER -60.19 163.85 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.554 HG22 ' CE1' ' A' ' 95' ' ' HIS . 24.7 m -86.38 -11.1 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.554 ' CE1' HG22 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -100.99 31.85 3.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 4.7 p -132.24 133.71 44.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -146.58 121.63 10.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.01 149.27 47.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.458 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 23.4 p90 -145.25 142.68 29.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 mt -87.9 132.34 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.8 ptm -124.7 164.91 18.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.519 0.2 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -124.98 139.07 54.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 49.5 t -118.46 110.32 17.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.277 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 87.0 m-70 -90.83 116.25 28.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 113' ' ' PHE . 74.0 t -91.98 141.59 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.1 m-85 -146.82 162.86 37.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.438 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 9.8 t-105 -116.53 103.0 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . 0.403 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 8.9 m -94.64 151.64 19.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.2 mt-10 -140.86 150.43 59.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.529 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.4 Cg_endo -74.95 -9.81 23.89 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.004 -0.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -151.43 160.2 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.354 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.78 33.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.63 -46.17 9.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.0 -43.52 67.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.23 -65.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 30.2 t -48.79 -33.92 11.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.01 -57.15 5.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.415 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -54.83 -24.36 22.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.455 ' CG1' ' HE1' ' A' ' 88' ' ' MET . 99.2 t -87.78 -53.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 123' ' ' SER . 0.9 OUTLIER -52.34 -56.23 16.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 61' ' ' ALA . 86.2 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -125.38 110.12 13.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -107.61 126.43 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CD2' HG22 ' A' ' 122' ' ' VAL . 70.0 m-85 -126.93 115.43 19.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.44 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.48 99.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.2 m -122.61 158.47 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -89.34 142.21 27.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.445 ' OH ' ' CG2' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -94.88 113.02 24.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.549 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -79.63 -45.46 19.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 141.68 162.99 9.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -91.44 133.59 35.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.72 128.5 21.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 158.74 41.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.8 m -142.68 152.89 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.57 -49.05 11.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -91.38 136.2 27.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -16.11 20.55 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.768 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.1 m -133.89 167.63 25.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.55 126.16 3.69 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.2 mtp -71.52 -45.9 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -60.85 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 m -54.69 -37.97 66.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.02 -66.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -49.72 -56.84 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -41.85 -45.08 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.76 -61.68 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.7 mt -47.07 -66.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.06 -44.55 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.88 -57.72 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 14.8 mt -59.11 -45.82 89.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.2 tttm -71.78 -50.27 31.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -63.3 -38.3 90.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -49.23 -32.94 11.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.549 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 15.4 m0 -65.81 128.1 93.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.65 23.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.51 102.14 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG21 ' CG1' ' A' ' 67' ' ' VAL . 5.1 m -110.7 172.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -116.17 143.67 45.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.3 tpp -107.14 104.32 13.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 28.0 t-20 -80.93 136.47 36.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.434 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 60.4 t -135.36 97.69 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -153.97 167.36 30.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.7 t0 41.0 37.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.474 ' O ' ' CG2' ' A' ' 82' ' ' VAL . . . 51.59 52.85 13.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.3 m -143.52 153.33 42.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -120.6 100.5 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.469 ' CG2' HG23 ' A' ' 76' ' ' VAL . 49.6 m -115.32 122.92 47.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.467 ' CG1' HG21 ' A' ' 56' ' ' VAL . 59.5 t -85.01 100.9 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 69' ' ' SER . 5.0 mt -94.17 147.95 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 68' ' ' ILE . 44.6 t -70.24 159.43 34.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 6.3 tt0 -75.92 -50.64 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -89.16 45.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.67 163.62 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -126.08 -51.6 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.36 -13.14 61.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -80.65 110.54 16.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 66' ' ' THR . 0.2 OUTLIER -110.09 92.83 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.19 -58.69 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.445 ' CG2' ' OH ' ' A' ' 22' ' ' TYR . 6.1 t -128.42 144.0 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.27 104.17 8.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.41 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 99.1 m -117.11 146.22 43.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -118.81 148.41 42.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 63' ' ' ALA . 13.2 m -70.94 -24.62 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 84' ' ' PHE . 1.6 ppt_? -74.67 -19.35 60.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.451 ' CE2' ' CZ ' ' A' ' 83' ' ' ARG . 1.6 m-85 -105.63 -7.1 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.41 147.63 52.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.3 m -115.17 -34.42 5.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.04 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 88' ' ' MET . 48.5 t80 -178.27 170.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.573 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.01 -149.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.93 150.19 6.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 t -73.28 141.6 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.03 -178.04 30.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -41.85 -49.91 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -87.03 157.93 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.516 HG22 ' CE1' ' A' ' 95' ' ' HIS . 21.2 m -82.98 -5.69 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.5 OUTLIER -102.08 17.23 23.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.578 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 p -126.37 131.35 51.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -135.94 136.16 40.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -149.84 144.68 26.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 7.1 p90 -143.57 146.7 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.3 mt -94.79 128.61 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.41 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 2.1 ppp? -120.04 165.88 14.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.487 0.184 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -109.09 138.08 45.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.0 t -117.74 101.65 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.418 ' CE1' HG13 ' A' ' 78' ' ' VAL . 65.6 m-70 -84.2 147.74 27.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.441 ' CG2' HD13 ' A' ' 44' ' ' LEU . 98.7 t -122.7 138.33 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CZ ' HG21 ' A' ' 67' ' ' VAL . 85.2 m-85 -146.71 165.43 29.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.555 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 11.0 t-105 -119.17 114.58 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -107.59 151.24 25.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.257 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.49 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 26.3 mt-10 -139.98 151.04 64.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -74.99 -9.66 23.98 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.982 -0.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -153.71 154.66 34.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.55 37.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.94 -39.84 15.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -77.88 -40.05 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.42 HG22 ' CD2' ' A' ' 18' ' ' PHE . 3.6 t -63.69 -63.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.2 t -48.87 -39.91 27.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.36 -56.71 11.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.39 -34.5 34.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 78.8 t -75.34 -49.69 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -59.8 -55.11 38.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.461 ' CG2' ' HE3' ' A' ' 17' ' ' LYS . 1.7 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 6.7 mt-30 -103.52 109.19 20.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.461 ' HE3' ' CG2' ' A' ' 15' ' ' VAL . 17.7 mttt -105.7 125.75 51.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 80.0 m-85 -125.09 115.39 20.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.43 99.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 m -123.72 156.68 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.407 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 49.1 mt-30 -88.47 141.12 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.08 110.61 21.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.523 HD21 ' CH2' ' A' ' 53' ' ' TRP . 0.4 OUTLIER -78.69 -46.64 18.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 139.07 166.06 10.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 111.051 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.468 ' CG ' ' HB3' ' A' ' 109' ' ' GLU . 17.3 tmm? -94.52 131.84 39.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.976 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -126.26 127.52 24.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.0 37.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.16 171.04 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.42 -50.76 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -85.27 138.13 36.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.38 11.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 m -128.81 177.2 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.91 137.51 7.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 99.8 mmm -82.12 -36.98 26.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.89 -65.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -57.8 -38.26 75.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -53.46 -69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -51.0 -57.26 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.94 -46.14 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -53.48 57.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -55.48 -67.19 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.45 -39.68 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.12 -59.52 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 12.4 mt -59.74 -44.43 93.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -72.6 -49.99 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -61.46 -34.39 75.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -35.79 59.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.523 ' CH2' HD21 ' A' ' 23' ' ' LEU . 16.1 m0 -65.17 124.96 88.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 139.56 24.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.29 102.28 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 67' ' ' VAL . 5.1 m -110.68 173.99 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -119.56 141.22 49.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.4 tpp -107.52 101.75 11.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 42.9 t-20 -80.98 139.54 35.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 45.0 t -133.23 102.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.38 165.35 35.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.67 42.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 82' ' ' VAL . . . 47.76 52.96 12.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.44 HG21 ' CG ' ' A' ' 81' ' ' ARG . 23.2 m -144.88 156.15 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.74 103.67 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -113.62 119.02 36.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 56' ' ' VAL . 62.3 t -87.0 100.88 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.9 mt -91.45 157.62 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -77.33 170.37 16.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -88.72 -44.0 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -63.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.39 161.64 14.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -113.59 -32.35 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.32 -22.75 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -63.47 158.89 19.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.7 t -143.42 92.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.87 -50.4 72.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 67' ' ' VAL . 8.9 t -144.69 142.15 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -126.56 102.19 7.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 0.1 OUTLIER -111.74 150.4 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.275 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.44 ' CG ' HG21 ' A' ' 64' ' ' THR . 1.3 mtt180 -125.34 139.69 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.468 HG23 ' CB ' ' A' ' 63' ' ' ALA . 16.9 m -59.06 -19.24 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -27.83 38.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.99 1.18 39.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -78.89 153.73 30.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -39.66 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 88' ' ' MET . 76.1 t80 -178.19 174.08 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.461 ' CE ' HG11 ' A' ' 126' ' ' VAL . 21.3 ptp -170.23 -161.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 149.39 173.02 19.58 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.76 128.82 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.747 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.85 -179.0 2.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -41.76 -45.16 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.236 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -88.98 157.43 18.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 119' ' ' ALA . 33.7 m -83.92 -3.06 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.435 ' CE1' HG23 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -105.07 17.2 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.565 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -125.45 125.6 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -133.99 128.11 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.55 151.87 42.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 8.4 p90 -147.1 141.15 26.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.0 mt -88.13 129.4 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 27.6 ptm -120.79 164.56 16.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.517 0.198 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 54.4 mt-10 -103.25 138.82 39.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.0 t -120.24 104.85 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 63.0 m-70 -84.3 143.34 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.594 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.79 139.8 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 91.9 m-85 -146.02 161.42 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -113.88 110.94 20.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.051 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 6.5 m -104.57 147.43 27.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mt-10 -139.68 149.76 60.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.04 -17.36 20.17 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.938 -2.526 . . . . 0.0 111.038 -0.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -140.61 160.03 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -95.29 24.94 4.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.22 -45.82 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -67.62 -44.8 77.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.7 t -60.97 -66.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.8 t -45.64 -39.02 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.85 -53.88 23.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.18 -28.45 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.461 HG11 ' CE ' ' A' ' 88' ' ' MET . 93.8 t -83.08 -53.97 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -57.07 -46.83 82.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 93.4 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.417 ' N ' HG12 ' A' ' 15' ' ' VAL . 10.5 mt-30 -119.98 109.77 15.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -104.2 125.3 50.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -124.13 111.43 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 103.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.75 161.63 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 47.9 mt-30 -89.25 152.71 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -103.74 101.59 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 53' ' ' TRP . 1.0 OUTLIER -65.71 -45.33 83.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.38 161.1 8.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.464 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 28.8 ttp -97.17 107.05 19.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 tt -108.77 127.64 26.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.55 35.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.441 1.759 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -153.42 142.92 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.57 -41.41 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.65 114.65 51.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.97 -2.25 12.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.422 ' CG1' ' O ' ' A' ' 31' ' ' PRO . 33.0 m -154.58 151.51 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.78 120.6 2.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -41.78 93.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -47.11 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 m -49.1 -48.66 44.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.39 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tp -45.69 -59.87 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -58.31 -55.6 32.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -41.73 -40.44 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.98 -64.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.432 HG12 ' CG1' ' A' ' 112' ' ' VAL . 89.6 mt -48.07 -57.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -46.22 -36.36 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -64.57 -60.31 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -53.62 -47.36 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 19.9 tttm -64.96 -46.82 79.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.02 -30.01 64.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -21.0 8.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.539 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.0 m0 -76.61 127.15 84.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 108.028 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.73 23.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.97 102.2 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.448 HG21 ' CG1' ' A' ' 67' ' ' VAL . 6.5 m -111.13 173.09 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -118.95 141.95 48.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.492 ' HE2' ' CD2' ' A' ' 113' ' ' PHE . 17.9 tpp -104.27 104.83 14.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -81.06 136.59 35.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.26 108.4 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -165.83 168.84 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 t70 40.45 33.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 82' ' ' VAL . . . 54.23 54.34 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.457 HG21 ' CG ' ' A' ' 81' ' ' ARG . 51.9 m -145.7 153.36 40.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' CYS . 3.3 t -118.67 102.73 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -116.39 124.13 49.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.531 HG23 ' CZ ' ' A' ' 113' ' ' PHE . 87.3 t -89.65 106.37 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 69' ' ' SER . 16.2 mt -99.5 145.33 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.425 ' N ' HG21 ' A' ' 68' ' ' ILE . 3.6 t -59.55 171.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -83.73 -46.1 12.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -99.47 64.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 170.32 171.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -133.73 -45.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -9.57 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.91 110.33 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.26 99.35 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.43 -53.16 61.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.544 HG21 ' CE1' ' A' ' 111' ' ' HIS . 3.6 t -131.33 148.42 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -133.23 101.45 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' VAL . 94.7 m -115.32 150.41 36.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 108.327 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.457 ' CG ' HG21 ' A' ' 64' ' ' THR . 6.7 mtm180 -121.22 136.31 54.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 63' ' ' ALA . 7.5 m -60.92 -19.33 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -21.46 44.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -103.04 -19.98 14.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.452 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -49.0 174.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.95 -46.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 88' ' ' MET . 19.2 t80 -167.52 167.25 13.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.511 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 21.0 ptp -167.32 -163.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.408 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 149.62 165.27 12.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 91' ' ' GLY . 74.8 t -89.09 120.06 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -50.51 -177.25 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLY . 9.9 mmtt -39.88 -59.6 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.22 161.03 29.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 119' ' ' ALA . 35.2 m -85.8 -10.1 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.475 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -97.44 19.85 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.0 p -126.6 139.02 53.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -145.86 145.57 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.08 149.69 10.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.452 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 16.3 p90 -145.58 143.67 30.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.403 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 14.5 mt -89.22 127.17 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -110.97 165.94 11.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 t0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.403 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 38.0 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.486 0.184 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.464 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 27.7 mt-10 -115.71 127.56 55.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.0 103.39 12.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.544 ' CE1' HG21 ' A' ' 78' ' ' VAL . 39.9 m-70 -83.91 110.18 18.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.616 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG1' HG12 ' A' ' 41' ' ' ILE . 98.6 t -89.22 142.98 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.531 ' CZ ' HG23 ' A' ' 67' ' ' VAL . 79.7 m-85 -146.66 161.93 39.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.475 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 5.2 t-105 -115.73 114.06 24.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.2 m -109.79 148.31 31.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 108.309 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.2 mt-10 -131.2 145.22 56.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.01 -37.28 2.29 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.009 0.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -126.84 154.65 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -87.81 43.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.08 -41.17 11.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.48 -38.44 49.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.79 -63.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 t -49.13 -36.28 18.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.59 -58.49 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.16 -29.55 2.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.469 HG13 ' CE ' ' A' ' 88' ' ' MET . 76.4 t -81.67 -47.23 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -60.22 -58.17 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 61' ' ' ALA . 72.4 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.62 110.5 13.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -105.08 124.45 49.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -123.92 115.3 21.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 99.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 m -125.59 157.06 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 50.7 mt-30 -88.42 144.46 26.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -95.34 101.45 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -65.04 -48.52 73.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.75 176.53 22.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.132 . . . . 0.0 111.036 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.403 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 24.9 ttp -110.62 110.17 20.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tt -110.52 127.39 27.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.6 36.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -139.79 141.49 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.36 -45.24 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.38 115.08 46.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -4.24 15.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.8 m -149.97 145.5 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.59 141.73 4.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 mtp -82.61 -40.51 20.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -48.48 -65.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -51.8 -46.06 64.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -49.97 -65.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -52.95 -52.25 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -44.52 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.01 79.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.9 mt -54.84 -63.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -46.88 -37.09 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -64.74 -55.84 17.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.64 -38.57 85.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.449 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 17.4 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 2.1 tttt -66.69 -53.73 30.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.57 -34.99 79.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.12 -24.79 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.57 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 8.4 m0 -74.37 124.07 89.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.17 24.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.97 102.39 4.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.474 HG22 ' CG1' ' A' ' 67' ' ' VAL . 11.7 m -112.2 173.45 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 70' ' ' GLU . 69.9 m-20 -117.13 143.54 45.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 tpp -106.01 103.88 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -80.9 135.3 35.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.5 t -135.01 103.49 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.462 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -157.86 163.74 37.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t0 41.17 41.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.466 ' CB ' HG23 ' A' ' 82' ' ' VAL . . . 49.36 53.41 12.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.3 m -142.8 153.44 43.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.393 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.08 100.01 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.2 m -113.59 126.4 55.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.478 HG23 ' CZ ' ' A' ' 113' ' ' PHE . 60.2 t -88.07 101.87 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.9 mt -96.23 149.22 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.7 t -71.4 165.79 23.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.424 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 13.8 tt0 -82.41 -49.3 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -87.72 47.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.19 168.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -128.46 -48.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.86 -15.64 62.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.25 108.81 11.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.1 94.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 56' ' ' VAL . 11.9 mt -50.84 -49.55 58.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.9 t -138.0 147.93 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -128.91 104.83 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.505 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 62.9 m -119.95 144.27 47.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 -120.42 145.2 47.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.466 HG23 ' CB ' ' A' ' 63' ' ' ALA . 5.2 m -63.64 -25.13 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.608 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -73.9 -14.88 61.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.608 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 2.3 m-85 -111.02 -3.7 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.447 HD22 ' CE ' ' A' ' 88' ' ' MET . 0.2 OUTLIER -72.22 144.05 48.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.2 m -114.08 -30.72 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 88' ' ' MET . 30.0 t80 -178.2 168.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.555 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -165.47 -149.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.67 158.42 9.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.1 t -77.99 138.03 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.13 -167.48 24.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -41.45 -68.83 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.802 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.3 OUTLIER -74.23 150.94 40.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 119' ' ' ALA . 33.3 m -80.23 -1.78 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 1.4 m80 -101.16 22.18 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.57 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 19.4 p -134.3 137.85 44.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -140.01 118.73 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.13 140.42 50.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 7.1 p90 -135.75 138.39 42.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 87' ' ' PHE . 39.1 mt -88.09 127.42 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.505 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 23.0 ptm -110.66 156.35 21.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.503 0.192 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 4.4 mt-10 -105.22 131.94 52.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 9.0 t -109.26 104.29 13.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.266 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 79.6 m-70 -84.12 111.78 19.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.5 t -90.86 143.88 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.6 m-85 -146.81 165.17 30.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 23.4 t-105 -117.4 115.15 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 107.967 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.1 m -114.16 140.32 48.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.1 mp0 -126.55 149.25 67.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.5 Cg_endo -74.89 -22.63 13.61 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.067 -0.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -137.48 157.59 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 123' ' ' SER . . . -91.78 35.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -85.85 -51.5 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.55 -48.34 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 9.2 t -61.85 -60.5 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 34.3 t -54.17 -26.4 27.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 2.9 mm-40 -80.47 -39.07 28.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.15 -12.74 61.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.414 ' CG1' ' HE3' ' A' ' 88' ' ' MET . 83.0 t -93.79 -56.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 18.2 pt20 -55.22 -48.55 73.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.483 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 61' ' ' ALA . 75.5 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -124.5 109.77 13.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -105.31 123.9 48.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -123.98 118.11 26.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.9 107.83 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.82 157.36 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 67.0 mt-30 -88.39 149.9 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -100.67 101.92 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.562 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 1.3 mp -66.72 -41.94 87.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.1 162.53 10.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -88.53 133.5 34.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 tt -131.5 127.54 21.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.12 39.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.449 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 26.7 m -138.17 169.21 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.44 -55.51 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -89.74 134.6 31.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.76 19.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -136.39 -179.7 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.11 140.32 11.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' LEU . 99.6 mmm -78.94 -45.91 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -40.97 -57.3 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.449 ' CG2' ' HB ' ' A' ' 28' ' ' VAL . 8.5 m -63.47 -33.29 75.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 34' ' ' MET . 3.3 tp -61.79 -71.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -51.45 -52.45 46.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -41.86 -49.72 4.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.036 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.23 -58.36 8.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.8 mt -51.11 -65.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.58 -36.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -61.88 -65.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.4 mt -49.67 -39.54 36.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 4.4 tttt -64.68 -52.0 59.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.56 -30.62 71.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.86 -19.3 11.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.4 m0 -82.65 126.05 74.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 108.014 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 137.4 21.46 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.57 102.57 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG22 ' CG1' ' A' ' 67' ' ' VAL . 4.8 m -111.61 175.58 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -121.16 143.26 49.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 tpp -105.35 104.39 14.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -82.42 135.02 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.3 t -133.09 111.3 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.469 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -167.74 169.5 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 t0 39.84 34.48 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.469 ' CB ' HG21 ' A' ' 82' ' ' VAL . . . 53.61 55.67 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 80' ' ' CYS . 37.6 m -148.25 154.66 40.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.464 ' CG2' HG11 ' A' ' 126' ' ' VAL . 3.0 t -119.46 99.89 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.467 ' CG2' HG22 ' A' ' 76' ' ' VAL . 43.3 m -111.74 120.28 41.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.453 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 77.3 t -85.54 101.58 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.2 mt -94.73 151.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -65.27 168.22 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -87.87 -48.25 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -90.03 50.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.16 146.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -123.47 70.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' VAL . 2.7 pt-20 178.11 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 7.8 tt0 -67.1 68.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 66' ' ' THR . 0.9 OUTLIER -56.03 109.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mt -71.66 -48.29 48.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.515 HG11 ' CE1' ' A' ' 111' ' ' HIS . 9.5 t -142.27 141.85 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 78' ' ' VAL . 4.4 tt0 -123.68 114.99 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.47 ' O ' ' CG2' ' A' ' 64' ' ' THR . 10.8 t -119.39 148.05 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.301 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -121.26 132.43 54.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 63' ' ' ALA . 4.4 m -57.89 -20.67 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -27.78 42.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -97.34 -23.63 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -47.57 161.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.7 -43.31 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 88' ' ' MET . 65.1 t80 -176.57 174.14 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.601 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 22.9 ptp -168.92 -159.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 150.15 155.54 6.88 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 t -82.66 118.43 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -49.66 178.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' GLY . 28.4 mttt -40.37 -52.01 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.406 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.5 OUTLIER -82.96 159.16 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.9 m -84.27 -11.83 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.1 OUTLIER -94.38 15.42 17.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.607 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 11.8 p -124.03 143.94 50.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.474 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 59.0 t80 -154.1 145.78 23.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.13 151.2 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.448 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 16.4 p90 -145.67 144.7 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.0 mt -88.53 126.37 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptm -131.53 163.08 28.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.478 0.18 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -124.01 137.54 54.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.7 t -111.86 118.81 36.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 108.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 79.5 m-70 -99.13 110.42 23.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.3 t -87.09 142.42 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 90.9 m-85 -146.78 167.48 23.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -125.91 115.31 19.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 2.8 m -108.78 159.33 16.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 108.339 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.508 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mt-10 -143.92 146.56 34.82 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -13.09 23.76 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.998 -0.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -150.39 155.47 39.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.29 26.05 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.95 -60.5 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -67.33 -41.46 85.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.0 t -58.13 -32.54 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 17.7 t -87.38 -35.39 18.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 3.2 pt-20 -69.77 -47.01 64.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -57.01 -36.26 70.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.469 HG12 ' CE ' ' A' ' 88' ' ' MET . 76.6 t -75.55 -48.24 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -59.76 -53.57 56.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' CB ' ' A' ' 61' ' ' ALA . 69.0 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.43 ' N ' HG12 ' A' ' 15' ' ' VAL . 8.7 mt-30 -112.74 109.25 18.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -108.98 125.99 52.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD2' HG21 ' A' ' 122' ' ' VAL . 69.2 m-85 -128.81 118.65 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 102.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 m -124.21 156.35 31.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 49.1 mt-30 -90.13 146.66 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.4 112.91 25.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD23 ' CZ2' ' A' ' 53' ' ' TRP . 2.3 mp -77.94 -43.83 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 137.05 160.14 8.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 25' ' ' MET . 13.9 tmm? -87.99 131.83 34.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 tt -127.64 127.64 24.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.21 34.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.58 171.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.56 -60.7 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.28 133.86 77.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -12.08 21.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.428 ' CG1' ' HB2' ' A' ' 87' ' ' PHE . 15.9 m -137.4 -171.4 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.37 156.8 27.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -98.71 -45.92 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.6 -59.7 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 m -54.99 -42.65 72.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tp -52.98 -68.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 37.2 m-80 -52.71 -45.51 66.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -46.38 -41.89 14.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.48 -59.12 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.4 mt -47.08 -57.3 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -44.99 -44.2 9.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -59.29 -59.18 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 12.8 mt -54.36 -43.79 71.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.44 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 5.7 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 18.0 tttm -73.82 -51.11 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.04 -36.4 83.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -48.98 -24.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.1 m0 -75.94 125.23 88.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.15 19.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 102.3 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.473 HG23 ' CG1' ' A' ' 67' ' ' VAL . 13.0 m -111.48 167.3 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -111.71 138.79 47.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.0 tpp -101.55 103.73 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 24.0 t-20 -80.71 137.81 36.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.402 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 73.3 t -135.48 114.29 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.478 ' CB ' HG22 ' A' ' 15' ' ' VAL . . . -172.46 169.97 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t0 40.14 37.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 82' ' ' VAL . . . 50.42 51.42 16.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' ALA . 51.8 m -145.46 154.25 42.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -121.37 102.54 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.8 m -111.18 129.63 55.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' ' 56' ' ' VAL . 60.7 t -92.45 104.58 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.8 mt -100.13 153.31 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -68.17 173.27 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -79.86 -42.38 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -87.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -50.99 149.99 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -109.18 -18.65 13.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -92.4 -17.4 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.79 105.12 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.58 98.54 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.05 -52.14 66.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.34 148.62 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -134.34 96.82 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.4 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 0.1 OUTLIER -104.87 150.41 24.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 108.286 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.419 ' CG ' HG22 ' A' ' 64' ' ' THR . 63.2 mtt-85 -122.58 133.85 54.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 63' ' ' ALA . 4.4 m -59.44 -16.24 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -21.12 34.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -9.88 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -63.23 165.88 6.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.61 -43.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 88' ' ' MET . 56.9 t80 -173.48 172.82 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.593 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 16.8 ptp -169.9 -159.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 145.24 165.25 11.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.2 t -85.34 124.36 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.17 -175.08 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 70.7 mttt -43.6 -51.73 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.82 161.52 23.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 119' ' ' ALA . 22.8 m -85.2 -12.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -97.2 20.46 11.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 p -126.03 135.9 52.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.413 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 54.7 t80 -145.69 134.12 21.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.04 156.1 39.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 7.2 p90 -148.22 149.22 31.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 mt -92.45 126.8 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.4 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 24.8 ptm -115.74 165.04 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.479 0.18 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -106.1 137.11 44.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 51.0 t -115.08 110.2 19.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 60.7 m-70 -91.38 119.09 31.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.464 HG11 ' CD1' ' A' ' 23' ' ' LEU . 74.2 t -95.84 143.41 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 84.2 m-85 -146.67 167.79 22.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.557 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 17.8 t-105 -122.38 116.68 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.3 m -112.74 139.22 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mp0 -124.02 143.16 41.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -42.24 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.002 -0.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -120.33 157.29 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -89.59 38.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -83.78 -56.16 3.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -58.62 -50.0 75.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.473 HG21 ' CD2' ' A' ' 18' ' ' PHE . 34.8 t -58.61 -69.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 23.0 t -45.99 -25.23 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 7.4 mm-40 -81.37 -43.59 18.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -67.3 -12.53 60.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.417 HG13 ' CE ' ' A' ' 88' ' ' MET . 63.5 t -96.07 -54.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.505 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 15.8 pt20 -54.97 -48.91 72.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.556 ' HB ' ' CB ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 8.1 mt-30 -127.73 113.76 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -93.98 120.77 34.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 95.9 m-85 -119.58 127.83 53.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.08 102.32 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' VAL . 29.5 m -124.74 163.73 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 36.6 mt-30 -91.94 145.24 24.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -96.08 100.99 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.556 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 1.1 mp -63.12 -48.45 78.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.27 162.1 9.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.535 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 18.6 ttp -94.58 115.85 28.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 0.738 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -116.61 127.32 26.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.0 42.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.9 m -138.4 -176.89 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.72 -59.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -82.08 136.57 46.89 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -19.21 17.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 m -130.3 166.46 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.91 139.29 6.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -44.57 13.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.85 -62.64 1.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -52.08 -42.56 63.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.37 -64.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -49.5 -57.01 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.3 -48.69 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.55 -58.55 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -48.37 -69.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -40.39 -40.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -53.92 -61.16 2.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.49 -60.26 3.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 19.9 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 5.9 tttt -76.16 -53.55 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.58 -31.82 72.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.29 -22.13 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.556 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 8.3 m0 -78.37 123.4 85.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.07 22.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.564 1.823 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.54 101.89 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' VAL . 16.1 m -110.5 169.15 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -116.51 141.36 48.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.1 tpp -105.2 102.05 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 20.0 t-20 -86.1 124.99 33.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.1 t -118.86 95.23 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.556 ' CB ' ' HB ' ' A' ' 15' ' ' VAL . . . -142.14 166.67 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' ALA . 2.3 t70 37.82 44.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' O ' ' CG2' ' A' ' 82' ' ' VAL . . . 45.97 52.1 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' ALA . 34.7 m -144.96 154.98 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.423 ' CG2' HG13 ' A' ' 126' ' ' VAL . 4.0 t -118.08 103.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.461 ' CG2' HG21 ' A' ' 76' ' ' VAL . 39.6 m -113.76 117.51 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.5 t -84.55 107.97 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mt -102.63 152.64 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 t -65.87 169.96 5.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.79 -33.5 58.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -88.18 -93.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.89 151.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.85 -13.52 14.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -98.27 -20.44 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.33 101.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.461 HG21 ' CG2' ' A' ' 66' ' ' THR . 0.2 OUTLIER -99.47 93.56 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mt -52.59 -49.58 64.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 t -137.02 146.42 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -130.11 94.91 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' VAL . 68.9 m -103.61 149.91 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.261 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.457 ' CG ' HG22 ' A' ' 64' ' ' THR . 4.6 mtt180 -124.48 135.81 53.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 63' ' ' ALA . 6.4 m -61.15 -16.89 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -17.86 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -111.81 -2.68 15.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -67.05 162.21 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.7 m -126.58 -42.32 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 88' ' ' MET . 42.0 t80 -175.23 172.46 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.53 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 18.2 ptp -171.33 -161.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.19 -170.49 28.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.3 t -122.62 114.26 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.53 -162.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -40.91 -88.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -50.82 144.66 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.412 HG21 ' CE1' ' A' ' 95' ' ' HIS . 29.3 m -83.59 3.92 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.2 m80 -103.37 19.25 20.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.6 p -126.7 136.74 52.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.411 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 50.3 t80 -143.52 130.5 20.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -149.01 148.91 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.434 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 39.9 p90 -142.24 143.37 32.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.4 mt -89.21 117.69 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.417 ' SD ' ' NE2' ' A' ' 111' ' ' HIS . 26.8 ptm -107.86 165.3 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.5 0.19 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -137.91 121.5 17.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 47.5 t -95.71 108.19 20.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 108.275 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 68.3 m-70 -89.1 103.83 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 113' ' ' PHE . 93.4 t -81.81 141.76 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.0 m-85 -145.94 167.2 23.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -119.69 112.72 19.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.981 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 4.1 m -106.38 144.74 32.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.3 mp0 -132.19 147.37 65.52 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.3 Cg_endo -75.05 -12.93 24.01 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.024 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 118' ' ' ASN . 0.0 OUTLIER -150.96 157.68 43.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -88.94 41.69 1.04 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.91 -44.66 9.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -76.4 -43.28 41.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.87 -62.11 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.6 t -50.07 -40.08 44.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.28 -56.1 11.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.85 -37.99 15.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.452 HG11 ' CE ' ' A' ' 88' ' ' MET . 88.0 t -72.74 -48.12 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -58.01 -51.96 67.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 16' ' ' GLN . 92.3 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' N ' HG11 ' A' ' 15' ' ' VAL . 8.2 mt-30 -112.81 109.4 18.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -109.57 122.3 47.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -122.52 117.23 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -65.17 106.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 m -131.59 159.39 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.1 mt-30 -88.76 143.77 26.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -96.03 107.48 19.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD23 ' CZ2' ' A' ' 53' ' ' TRP . 0.9 OUTLIER -71.84 -43.38 65.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 142.21 155.95 6.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 12.5 ttp -93.07 108.49 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.28 139.31 21.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 166.17 29.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.7 m -150.78 129.62 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -50.36 68.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.47 120.76 71.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.502 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 18.2 Cg_endo -74.96 -9.62 20.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.83 139.8 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.47 139.53 3.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -44.89 20.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 111.062 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.99 -59.94 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 m -56.34 -44.61 80.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.54 -60.66 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -58.41 -48.21 81.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -43.78 -43.97 6.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.09 -52.35 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.29 -62.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -42.98 -42.42 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -56.26 -60.05 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 14.9 mt -54.79 -49.32 71.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 23.2 tttm -69.41 -49.06 58.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.95 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.38 -25.29 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CZ2' HD23 ' A' ' 23' ' ' LEU . 9.5 m0 -72.99 122.87 88.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 138.55 23.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.03 102.62 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' A' ' 67' ' ' VAL . 10.6 m -112.56 179.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -123.37 150.73 43.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.8 ttm -112.12 104.65 12.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -80.7 136.25 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.5 t -135.94 105.51 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' CB ' HG23 ' A' ' 15' ' ' VAL . . . -161.56 167.84 24.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 9.6 t0 40.26 34.42 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 55.18 55.28 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' ALA . 17.6 m -145.19 156.23 43.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' CYS . 2.8 t -123.93 99.75 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.1 m -113.75 129.4 56.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 56' ' ' VAL . 57.7 t -90.11 103.31 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.3 mt -98.23 148.18 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.4 t -61.03 170.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -77.98 -41.72 35.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -89.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -45.89 155.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.38 -16.32 12.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.73 -26.3 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.79 110.07 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.32 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mt -53.09 -55.51 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.518 HG12 ' CE1' ' A' ' 111' ' ' HIS . 3.4 t -126.95 148.36 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -129.14 97.17 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' VAL . 99.1 m -115.84 150.29 37.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.426 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 70.2 mtt180 -121.94 -174.97 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.3 m -97.26 -33.77 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -67.11 -16.14 64.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 102' ' ' ASP . 18.7 m-85 -106.99 -9.39 16.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -68.87 142.48 54.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.41 -32.26 5.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 88' ' ' MET . 27.3 t80 -177.84 168.88 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.488 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -163.05 -150.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.7 159.24 10.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.2 t -80.11 138.46 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.93 -168.55 4.4 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -45.01 -62.37 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 0.803 . . . . 0.0 109.371 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.09 162.68 27.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.8 m -84.66 -10.02 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -96.95 15.64 21.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 p -123.81 136.68 54.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.44 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 55.3 t80 -145.45 147.27 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -163.95 144.91 8.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 30.6 p90 -136.36 139.93 42.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.8 mt -87.86 125.34 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.433 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 2.4 ppp? -113.2 165.79 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 84' ' ' PHE . 1.5 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 26.2 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.513 0.197 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.444 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 16.4 mm-40 -132.9 133.53 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -105.81 125.03 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 59.4 m-70 -103.44 102.36 12.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.13 142.2 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 80.8 m-85 -146.88 166.82 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.409 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 15.0 t-105 -120.67 113.19 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -110.74 142.24 42.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.283 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.8 mt-10 -127.26 143.38 46.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.99 -38.59 1.73 Allowed 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.993 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -125.56 150.75 47.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.44 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -88.24 44.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.59 -48.41 8.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.19 -47.33 84.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.8 -70.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 t -40.82 -36.05 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.06 -53.29 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.43 64.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.95 -52.53 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -62.15 -47.16 85.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG2' ' HB1' ' A' ' 61' ' ' ALA . 78.9 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.43 ' N ' HG13 ' A' ' 15' ' ' VAL . 4.6 mt-30 -118.35 109.47 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.65 129.79 53.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -131.3 121.04 24.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' NH1' ' OE2' ' A' ' 70' ' ' GLU . 3.6 ttt180 -68.74 107.4 3.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -132.41 158.97 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' LYS . 59.8 mt-30 -88.66 146.62 24.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.28 105.78 17.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.569 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -71.66 -47.29 55.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.2 178.33 21.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.53 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 26.5 ttp -109.05 119.31 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.793 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 tt -117.59 127.95 26.33 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.67 41.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 m -144.36 153.73 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.65 -46.2 9.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.2 118.33 71.88 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -4.74 15.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.9 m -144.52 156.77 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.05 148.33 7.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -44.35 9.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 0.804 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -66.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -51.84 -46.44 64.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.43 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -49.9 -53.48 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -67.35 -55.96 11.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.11 -40.47 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.98 -48.97 77.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.2 -62.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -40.81 -38.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.87 -63.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -54.75 -36.4 64.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 2.2 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.1 tttm -67.11 -50.75 60.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -67.71 -31.32 71.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -19.66 18.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.569 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.9 m0 -80.6 124.44 82.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.025 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.42 24.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.61 102.25 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CG1' ' A' ' 67' ' ' VAL . 8.4 m -110.35 175.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -118.67 143.94 46.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.9 tpp -107.6 102.57 11.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -80.86 136.94 36.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.4 t -135.43 103.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -157.0 166.43 33.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ALA . 2.0 t0 40.28 36.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.471 ' CB ' HG21 ' A' ' 82' ' ' VAL . . . 53.15 55.75 8.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 80' ' ' CYS . 45.3 m -145.89 154.93 42.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.14 99.64 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.465 ' CG2' HG13 ' A' ' 76' ' ' VAL . 82.8 m -112.2 119.37 38.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 56' ' ' VAL . 58.2 t -85.44 100.6 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 69' ' ' SER . 6.4 mt -94.91 143.68 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 31.2 t -59.91 161.81 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' OE2' ' NH1' ' A' ' 19' ' ' ARG . 8.2 tt0 -74.38 -51.33 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -65.41 -85.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -60.78 151.18 30.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -110.46 -26.21 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.98 -9.08 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -81.71 138.33 35.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' CG2' ' A' ' 66' ' ' THR . 55.7 t -122.34 99.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 69' ' ' SER . 6.7 mt -61.86 -52.08 65.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.2 t -145.52 144.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -124.28 112.84 17.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.47 ' O ' ' CG2' ' A' ' 64' ' ' THR . 3.6 t -119.89 149.57 41.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 108.285 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -124.55 133.57 53.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.471 HG21 ' CB ' ' A' ' 63' ' ' ALA . 7.3 m -58.07 -19.65 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.619 ' CZ ' ' CE2' ' A' ' 84' ' ' PHE . 1.9 ppt_? -79.91 -15.56 57.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.619 ' CE2' ' CZ ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -111.05 -3.5 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.81 148.24 42.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -114.74 -32.3 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.6 ' CE1' ' O ' ' A' ' 88' ' ' MET . 38.5 t80 -176.89 172.38 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.6 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -163.31 -149.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.51 155.16 8.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 91' ' ' GLY . 84.9 t -77.75 140.98 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.424 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -71.31 -169.79 10.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -42.9 -62.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.85 162.25 27.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.0 m -84.7 -12.78 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -93.83 17.72 11.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -126.25 133.85 51.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.455 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 49.0 t80 -138.03 139.31 39.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.82 148.04 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 9.4 p90 -141.69 137.12 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 87' ' ' PHE . 61.0 mt -88.1 125.16 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.419 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 24.1 ptm -117.21 152.06 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.532 0.206 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -108.9 138.32 45.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 t -116.94 107.3 14.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 89.5 m-70 -89.76 121.94 32.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.418 HG12 ' CD1' ' A' ' 23' ' ' LEU . 87.1 t -98.46 139.81 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 89.3 m-85 -146.1 164.43 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 5.5 t-105 -124.31 119.3 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.2 m -115.22 151.74 33.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.3 mt-10 -129.86 142.56 45.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -50.07 0.2 Allowed 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.044 -0.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -113.43 149.26 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -88.52 42.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 124' ' ' GLU . . . -79.2 -56.51 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.32 -54.66 37.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.443 ' O ' ' CG2' ' A' ' 126' ' ' VAL . 55.1 t -51.17 -29.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.3 t -89.83 -28.43 19.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.526 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 2.8 pt-20 -76.92 -47.69 20.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.526 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -55.96 -35.33 66.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 122' ' ' VAL . 63.3 t -72.83 -52.79 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -55.71 -55.12 36.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 77.2 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -123.5 109.96 14.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -105.86 127.35 53.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -130.23 115.61 17.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 55' ' ' SER . 1.6 ttt180 -65.1 99.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' VAL . 26.1 m -123.24 156.6 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.2 mt-30 -88.75 139.45 30.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -91.9 103.0 15.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.562 HD23 ' CZ2' ' A' ' 53' ' ' TRP . 1.1 mp -66.78 -47.96 70.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.62 179.33 25.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.568 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 11.3 ttp -112.52 116.74 30.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tt -118.26 127.47 26.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.25 33.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.8 m -136.56 146.14 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.06 -45.55 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 115.51 46.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.39 19.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.7 m -146.19 154.94 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.17 153.79 8.73 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mtp -97.44 -45.47 6.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 111.037 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.56 -66.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -53.35 -48.45 68.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -44.98 -49.78 11.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -65.7 -56.38 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.6 t -41.84 -44.81 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.59 75.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.37 -62.19 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -39.48 -32.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -70.86 -66.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mt -52.27 -25.49 9.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.452 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 11.2 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.574 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 10.6 tttm -67.64 -52.92 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.37 -41.33 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -45.11 -26.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.574 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -73.46 122.06 86.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.003 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 132.14 15.12 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -67.25 102.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' VAL . 11.4 m -113.66 171.44 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -115.1 147.68 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.9 ttm -109.82 101.03 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 18.8 t-20 -81.14 131.4 35.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.4 t -135.24 106.39 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 63' ' ' ALA . . . -138.58 147.41 42.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.99 -73.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.528 ' O ' ' CG2' ' A' ' 82' ' ' VAL . . . -179.31 35.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 80' ' ' CYS . 25.9 m -128.92 155.12 45.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.423 ' N ' HG21 ' A' ' 64' ' ' THR . 4.3 t -119.32 101.47 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 27.7 m -108.25 119.22 38.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' LEU . 56.2 t -84.4 105.92 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.445 ' CG2' ' O ' ' A' ' 73' ' ' GLU . 36.6 mt -98.72 156.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -82.81 170.08 15.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -84.61 -37.88 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -73.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -107.45 -176.7 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' CG2' ' A' ' 68' ' ' ILE . 43.8 mm-40 -109.71 -49.34 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.62 -19.34 25.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.33 71.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.528 ' CG2' ' CG2' ' A' ' 66' ' ' THR . 2.2 p -72.21 104.36 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' VAL . 5.3 mt -61.8 -53.35 57.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 67' ' ' VAL . 5.1 t -138.85 153.74 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -134.16 107.11 7.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.518 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 2.4 t -112.04 145.96 38.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.465 ' CG ' HG22 ' A' ' 64' ' ' THR . 2.4 mtp180 -123.49 136.9 54.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 63' ' ' ALA . 16.0 m -59.87 -22.93 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 84' ' ' PHE . 0.5 OUTLIER -77.72 -24.98 48.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.418 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -103.46 3.3 34.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -81.97 151.77 27.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 m -115.8 -34.54 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 88' ' ' MET . 39.2 t80 -178.26 172.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.605 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -162.43 -149.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.49 153.0 8.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 69.5 t -78.12 147.22 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.36 -165.55 36.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -40.41 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.53 160.65 28.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 119' ' ' ALA . 32.7 m -83.67 -9.76 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 1.5 m80 -89.07 11.22 19.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 p -125.02 135.27 52.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -139.01 143.72 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.97 151.48 27.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 7.1 p90 -145.38 139.87 27.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 87' ' ' PHE . 43.4 mt -88.07 128.58 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.45 ' SD ' ' CD2' ' A' ' 111' ' ' HIS . 27.3 ptm -128.58 165.09 21.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.478 0.18 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.414 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 25.2 mm-40 -121.59 145.9 47.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.6 t -121.83 113.06 19.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.298 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 67.4 m-70 -92.28 110.28 21.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 23' ' ' LEU . 88.5 t -86.48 141.55 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 93.9 m-85 -146.98 167.3 24.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.506 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 10.7 t-105 -123.06 119.8 31.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.2 m -115.61 148.01 40.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.3 mt-10 -132.32 145.43 57.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.0 Cg_endo -75.05 -33.82 3.81 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.974 0.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 118' ' ' ASN . 0.0 OUTLIER -128.82 153.39 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -90.38 40.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -90.33 -29.67 17.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -84.63 -34.1 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.242 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.35 -62.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 t -49.88 -37.58 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 9.1 mm-40 -64.3 -59.24 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.68 -30.48 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 97.1 t -82.35 -52.25 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -56.91 -54.04 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 61' ' ' ALA . 80.7 t . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -125.43 110.6 14.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -102.4 131.75 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -130.39 113.98 15.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -65.63 108.68 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.7 m -134.34 154.95 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 50' ' ' LYS . 59.7 mt-30 -88.44 143.43 26.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -94.11 106.16 18.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.526 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 0.4 OUTLIER -73.84 -44.71 54.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.42 162.4 9.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -90.01 131.87 35.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tt -130.05 127.53 22.69 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.52 38.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.87 147.11 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.01 -50.51 14.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 115.38 55.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.79 19.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.449 1.763 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.88 147.96 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.75 165.09 11.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.32 -40.34 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.58 -64.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -52.57 -48.44 66.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 tp -45.75 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 58.4 m-80 -48.79 -53.38 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.54 -53.87 4.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.29 -54.19 39.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.87 -56.5 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.39 -49.24 61.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -54.33 -48.91 70.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' MET . 13.3 mt -64.71 -50.86 65.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 19.3 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -62.28 -48.47 79.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -65.79 -38.74 89.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.17 -23.12 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.526 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 15.3 m0 -81.05 123.85 81.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 130.05 12.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.39 102.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.463 HG22 ' CG1' ' A' ' 67' ' ' VAL . 5.8 m -111.11 176.68 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -120.91 151.65 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.6 ttm -113.65 105.67 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -82.89 137.35 34.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.4 t -135.34 109.41 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.432 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -163.98 168.57 19.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' ALA . 4.8 t0 39.83 36.53 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 53.25 55.09 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 61' ' ' ALA . 2.6 m -145.2 160.54 41.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 126' ' ' VAL . 3.6 t -129.13 99.67 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 m -114.06 125.9 54.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 56' ' ' VAL . 59.9 t -86.56 105.64 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 69' ' ' SER . 7.4 mt -96.87 144.06 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.414 ' N ' HG21 ' A' ' 68' ' ' ILE . 4.2 t -60.3 170.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -92.51 -47.54 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.3 50.27 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 167.13 98.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.73 56.61 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.32 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.85 116.56 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.0 t -95.39 103.33 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.55 -60.53 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.42 HG23 ' CE1' ' A' ' 111' ' ' HIS . 2.7 t -126.16 143.99 37.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -119.61 97.27 5.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' VAL . 72.4 m -115.84 150.47 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.569 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 72.8 mtt-85 -123.88 -174.59 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.4 m -99.08 -31.34 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -71.48 -16.97 62.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 20.2 m-85 -107.45 -3.69 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -74.54 147.55 41.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -114.27 -38.57 4.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 88' ' ' MET . 38.6 t80 -178.17 171.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.529 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 10.2 ptp -170.58 -157.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.21 -175.13 26.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 77.0 t -103.71 119.73 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -49.52 178.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.434 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 2.7 mttm -40.43 -51.43 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -81.98 161.91 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 119' ' ' ALA . 32.6 m -83.95 -8.68 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.449 ' CE1' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -102.7 25.53 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.634 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 p -130.88 127.54 38.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -137.49 127.42 25.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.87 151.69 40.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 8.2 p90 -145.37 145.19 31.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.4 mt -90.8 125.59 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 19.0 ptm -110.54 164.02 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.446 0.165 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -104.03 133.84 48.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.4 t -112.51 110.94 21.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 51.2 m-70 -92.37 117.45 29.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 78.7 t -95.23 143.93 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.5 m-85 -146.85 165.21 30.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.402 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 8.0 t-105 -117.88 112.69 20.69 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -105.7 146.29 29.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.9 mt-10 -132.06 142.73 46.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -74.98 -44.51 0.55 Allowed 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.044 -0.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -116.74 157.07 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.369 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -90.59 38.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -88.72 -40.68 13.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -73.15 -40.87 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.36 -65.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 5.8 t -46.72 -39.6 11.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.08 -58.6 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.359 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.01 -32.84 48.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.471 HG12 ' CG2' ' A' ' 65' ' ' VAL . 79.4 t -77.9 -47.86 24.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 123' ' ' SER . 6.8 mm-40 -58.93 -54.13 50.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.464 HG21 ' CB ' ' A' ' 61' ' ' ALA . 94.7 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 18.8 mt-30 -123.04 110.03 14.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -103.01 125.58 49.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 79.9 m-85 -125.5 112.98 16.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.3 100.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' VAL . 17.4 m -125.45 158.22 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.57 145.79 25.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -96.69 102.38 14.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.567 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 0.9 OUTLIER -66.65 -47.69 71.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.66 165.03 10.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -93.25 133.38 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 0.803 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tt -134.63 127.39 18.55 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.22 36.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.97 163.54 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.03 -42.72 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.2 mtt85 -94.24 129.32 37.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.088 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -9.26 20.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.4 m -139.66 178.59 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.83 145.08 17.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.81 -45.58 11.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -43.92 -61.61 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -54.88 -39.96 69.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.44 -61.09 2.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -53.42 -53.02 57.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.71 -46.88 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.7 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.9 mt -48.3 -65.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -40.91 -43.78 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -52.7 -60.84 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.43 -58.08 7.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 10.4 tttm -75.15 -51.07 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -66.04 -31.56 72.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -30.58 24.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 8.8 m0 -68.59 128.63 92.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 107.971 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.8 22.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.46 102.35 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.45 HG22 ' CG1' ' A' ' 67' ' ' VAL . 8.4 m -112.36 168.79 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -112.92 141.91 46.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 tpp -105.37 107.11 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -82.84 136.91 34.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.8 t -135.41 109.88 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.464 ' CB ' HG21 ' A' ' 15' ' ' VAL . . . -167.54 169.91 11.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t70 40.36 32.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.453 ' CB ' HG21 ' A' ' 82' ' ' VAL . . . 54.47 53.53 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 80' ' ' CYS . 49.9 m -146.28 153.91 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.82 104.61 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.4 m -116.64 119.99 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.46 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.45 ' CG1' HG22 ' A' ' 56' ' ' VAL . 57.7 t -85.52 107.95 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.6 mt -101.99 156.13 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.3 t -77.24 167.36 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 7.4 tt0 -83.1 -49.0 9.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 46.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 167.61 150.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -113.67 -28.53 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -90.9 17.33 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -108.39 77.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -76.41 96.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.74 -42.75 99.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.431 HG21 ' CE1' ' A' ' 111' ' ' HIS . 5.4 t -145.33 143.08 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -128.12 114.45 17.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.497 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 0.5 OUTLIER -125.05 150.16 47.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.436 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 16.2 mtt85 -123.29 138.4 54.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.453 HG21 ' CB ' ' A' ' 63' ' ' ALA . 5.3 m -61.48 -14.8 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.625 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -82.95 -16.06 48.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -111.47 -15.54 13.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -58.24 153.44 15.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.81 -36.32 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 88' ' ' MET . 44.2 t80 -178.16 174.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.598 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.41 -148.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.93 154.21 7.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.0 t -79.39 126.43 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.5 -176.91 0.32 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.55 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.68 166.41 15.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.531 HG22 ' CE1' ' A' ' 95' ' ' HIS . 30.1 m -86.07 -12.3 11.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.6 OUTLIER -97.93 27.3 4.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.613 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.6 p -130.07 143.67 50.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -150.79 137.8 19.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.75 142.72 21.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 9.3 p90 -136.51 138.34 41.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.5 mt -87.92 131.36 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.509 ' SD ' ' CD2' ' A' ' 111' ' ' HIS . 27.9 ptm -126.75 164.93 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.483 0.182 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -108.9 140.53 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.7 t -120.68 104.14 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.268 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 79.9 m-70 -84.47 110.85 18.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.9 t -89.34 142.67 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 93.2 m-85 -146.82 167.48 23.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -121.45 115.58 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.029 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -111.82 149.05 32.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.493 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 16.4 mt-10 -135.94 151.13 73.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.577 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.2 Cg_endo -75.04 -9.66 24.13 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.956 0.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -155.61 153.96 30.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.1 42.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.82 -39.87 12.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -76.47 -40.74 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 13.3 t -63.85 -66.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.6 t -47.02 -37.61 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.2 -56.08 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.06 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.48 -50.45 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.38 -54.02 51.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' NE2' ' HB3' ' A' ' 125' ' ' ALA . 2.1 mt-30 -104.35 109.32 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -108.22 127.2 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -127.14 116.36 20.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 101.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.5 m -126.78 156.26 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 51.9 mt-30 -88.51 140.31 29.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -91.45 101.01 13.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD23 ' CZ2' ' A' ' 53' ' ' TRP . 0.9 OUTLIER -64.0 -45.83 87.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 143.49 158.92 7.75 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 15.7 ttp -90.92 129.18 36.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tt -130.17 127.91 22.67 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.17 39.24 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.5 m -142.13 165.71 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -89.2 -52.49 5.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -86.02 143.94 38.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.55 16.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 87' ' ' PHE . 34.0 m -137.3 -177.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.99 130.97 5.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -45.8 41.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.09 -61.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -55.11 -49.08 72.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -46.4 -63.38 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -53.38 -54.9 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.35 -41.05 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -59.18 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -49.59 -66.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -40.94 -41.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -52.97 -62.02 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 12.3 mt -53.35 -57.45 10.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.557 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.3 tttm -68.5 -53.21 24.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.27 -32.24 73.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -20.71 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CZ2' HD23 ' A' ' 23' ' ' LEU . 9.5 m0 -78.73 122.85 85.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.98 26.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 102.01 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.46 HG21 ' CG1' ' A' ' 67' ' ' VAL . 9.2 m -110.04 179.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -125.38 141.14 52.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.578 ' HE3' ' CD2' ' A' ' 113' ' ' PHE . 8.7 tpp -107.88 101.42 10.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 38.0 t-20 -80.9 142.24 33.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.406 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 90.8 t -135.4 101.24 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.2 165.16 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 41.29 39.14 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.481 ' O ' ' CG2' ' A' ' 82' ' ' VAL . . . 50.99 52.28 15.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.43 HG22 ' CG ' ' A' ' 81' ' ' ARG . 4.8 m -142.89 159.17 42.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 ' N ' HG21 ' A' ' 64' ' ' THR . 2.7 t -123.45 102.05 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -114.06 119.78 38.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.372 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.46 ' CG1' HG21 ' A' ' 56' ' ' VAL . 60.7 t -85.29 103.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 69' ' ' SER . 7.7 mt -96.78 143.99 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 68' ' ' ILE . 40.3 t -67.44 149.88 49.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.93 -57.33 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 54.82 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.9 164.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.8 -43.5 1.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.59 -9.26 58.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.17 105.56 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 83.8 t -98.41 104.11 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.34 -61.4 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.512 HG22 ' CE1' ' A' ' 111' ' ' HIS . 4.1 t -131.4 139.61 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -120.42 96.27 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.418 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 80.0 m -109.45 148.94 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.43 ' CG ' HG22 ' A' ' 64' ' ' THR . 4.2 mtp85 -126.06 154.15 43.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 63' ' ' ALA . 10.6 m -73.25 -22.09 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -77.88 -15.47 59.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.624 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 1.1 m-85 -110.66 -20.9 12.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -51.91 165.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.6 m -131.95 -44.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.519 ' CE2' ' O ' ' A' ' 88' ' ' MET . 59.4 t80 -173.8 171.84 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.519 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 22.4 ptp -166.48 -160.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 148.67 156.42 7.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 71.7 t -84.28 119.48 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.51 -174.34 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -40.63 -64.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.66 161.05 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' ALA . 24.0 m -86.0 -9.5 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.3 m80 -96.06 18.98 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.0 p -125.25 136.85 53.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.438 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 73.1 t80 -148.84 136.08 20.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.44 143.69 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 46.3 p90 -138.01 144.17 40.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -89.48 122.62 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.418 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 2.4 ppp? -115.38 165.94 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.449 0.166 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -126.07 136.6 53.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 53.4 t -109.72 130.35 55.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.333 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 73.7 m-70 -112.97 105.87 14.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -83.87 142.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.578 ' CD2' ' HE3' ' A' ' 58' ' ' MET . 91.3 m-85 -146.76 167.74 23.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.458 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 16.2 t-105 -119.53 111.02 17.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.8 m -103.69 149.48 24.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 108.293 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 22.1 mt-10 -137.55 147.76 58.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.56 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.2 Cg_endo -75.03 -9.3 24.03 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.951 -2.52 . . . . 0.0 110.997 -0.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.26 161.98 41.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.13 28.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -77.76 -43.3 31.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.42 -43.87 47.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.1 t -59.99 -67.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.225 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.2 t -43.71 -43.96 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.12 -54.53 32.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.404 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -51.63 -36.76 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.47 HG11 ' CE ' ' A' ' 88' ' ' MET . 93.8 t -74.84 -47.01 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -60.54 -54.12 49.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.229 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 92.6 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' MET . 12.5 mt-30 -114.85 109.04 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -111.24 124.67 52.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -126.68 115.78 19.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.19 101.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.242 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.54 158.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 55.1 mt-30 -88.35 140.8 29.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -94.04 100.82 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.563 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 0.9 OUTLIER -64.0 -47.85 78.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.76 -173.74 29.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.441 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 23.2 ttp -120.1 108.25 14.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 tt -107.39 131.11 21.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 155.61 42.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -141.07 140.59 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.65 -45.33 59.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -86.5 132.47 42.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.53 17.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -132.28 172.81 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.04 135.6 6.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.3 mtp -81.86 -39.23 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -62.18 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -54.37 -43.71 71.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tp -49.5 -59.03 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -63.16 -54.69 33.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -48.77 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.53 64.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.3 mt -50.92 -65.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -39.08 -40.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.2 -62.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.432 HD11 ' CG2' ' A' ' 112' ' ' VAL . 9.6 mt -54.57 -45.6 73.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.441 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 73.8 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.3 tttm -68.77 -53.38 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.92 -35.2 79.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -26.33 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 10.1 m0 -73.61 124.42 90.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.06 31.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 103.27 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.402 HG22 ' CG1' ' A' ' 67' ' ' VAL . 13.1 m -112.37 161.51 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -113.42 133.91 54.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' GLN . 21.2 tpp -92.76 100.15 12.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -80.66 132.41 35.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.5 t -135.91 110.34 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -142.78 141.36 31.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 66.24 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.518 ' O ' ' CG1' ' A' ' 82' ' ' VAL . . . 178.3 36.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.422 HG22 ' CG ' ' A' ' 81' ' ' ARG . 24.6 m -127.09 149.9 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 64' ' ' THR . 4.9 t -118.01 100.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.468 ' CG2' HG22 ' A' ' 76' ' ' VAL . 42.4 m -110.69 125.15 53.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.402 ' CG1' HG22 ' A' ' 56' ' ' VAL . 61.1 t -87.23 105.93 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mt -98.04 151.99 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.2 t -73.84 158.55 34.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 4.3 tt0 -65.5 -47.5 75.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 68.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.0 135.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -107.13 -11.64 15.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -105.44 -24.87 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.55 107.79 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.468 HG22 ' CG2' ' A' ' 66' ' ' THR . 0.2 OUTLIER -104.95 92.48 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.65 -55.11 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.5 t -133.1 150.31 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -131.66 99.08 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 63.8 m -111.62 143.48 42.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.422 ' CG ' HG22 ' A' ' 64' ' ' THR . 0.4 OUTLIER -117.47 149.44 40.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 63' ' ' ALA . 18.5 m -61.59 -33.71 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.417 ' HD2' ' CG ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -66.22 -33.88 76.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.417 ' CG ' ' HD2' ' A' ' 83' ' ' ARG . 1.6 m-85 -85.12 -18.97 32.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -63.65 143.51 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.11 -32.47 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 88' ' ' MET . 36.7 t80 -177.87 170.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.602 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.06 -148.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.97 153.38 7.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.14 149.18 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.7 -174.7 50.54 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -43.41 -50.4 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.87 155.69 19.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.538 HG23 ' CE1' ' A' ' 95' ' ' HIS . 19.3 m -81.8 -7.22 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.538 ' CE1' HG23 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -101.57 18.65 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.639 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 p -128.17 131.71 48.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -136.57 139.93 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.62 141.29 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 6.5 p90 -137.53 140.73 41.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 87' ' ' PHE . 64.8 mt -88.02 133.9 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.504 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 25.5 ptm -119.37 165.01 14.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.549 0.214 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -118.7 138.82 52.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 16.5 t -115.18 108.37 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 108.249 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 80.4 m-70 -88.79 112.09 22.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' HD11 ' A' ' 44' ' ' LEU . 92.0 t -88.23 141.02 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.0 m-85 -146.17 164.94 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.427 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 7.7 t-105 -122.05 113.48 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.2 m -108.6 152.73 24.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 108.269 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 38.2 mt-10 -138.79 150.8 66.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.497 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.4 Cg_endo -75.0 -9.63 24.01 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.021 0.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -154.88 155.95 35.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.02 37.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.04 -36.59 19.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -81.37 -38.44 26.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.76 -64.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.9 t -47.03 -40.69 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.58 -55.55 14.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -50.38 -42.88 54.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.3 t -67.45 -51.82 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.81 -57.62 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 70.1 t . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 25.2 mt-30 -117.31 109.48 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.438 ' CE ' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -103.04 129.17 49.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 91.5 m-85 -124.8 111.75 15.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.17 100.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.48 160.89 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 47.7 mt-30 -88.75 154.85 19.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.27 101.33 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 2.5 mp -65.23 -43.01 92.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.59 168.2 11.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.418 ' CG ' ' HB3' ' A' ' 109' ' ' GLU . 13.6 tmm? -93.66 137.8 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.402 ' N ' ' SD ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -135.93 128.29 17.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.62 43.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.69 133.82 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.26 -44.73 82.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 118.63 72.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 108' ' ' PHE . 18.3 Cg_endo -75.01 -9.27 20.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 m -146.33 147.44 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.03 145.3 4.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.1 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -43.35 12.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.23 -65.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -50.17 -43.89 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -50.52 -67.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 45.5 m-80 -50.86 -49.43 59.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.36 -50.91 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.6 mt -44.98 -63.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -49.69 -34.46 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -60.85 -55.7 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.98 -57.75 11.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.537 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 2.5 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 9.9 tttt -83.68 -50.48 8.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.25 -26.03 66.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.68 -23.48 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 9.6 m0 -76.12 128.17 83.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 107.975 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.38 25.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.34 102.42 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.447 HG22 ' CG1' ' A' ' 67' ' ' VAL . 5.0 m -112.03 173.35 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -119.11 141.99 48.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.418 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 7.9 tpp -102.53 101.32 11.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -80.62 135.87 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -135.34 106.19 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -159.62 166.85 29.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.6 t0 41.71 33.82 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.41 ' CB ' HG22 ' A' ' 82' ' ' VAL . . . 55.62 54.77 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -145.02 158.73 43.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' CYS . 4.6 t -124.78 100.48 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 76' ' ' VAL . 95.6 m -113.45 129.79 56.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.447 ' CG1' HG22 ' A' ' 56' ' ' VAL . 61.4 t -92.07 102.51 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.1 mt -96.27 147.18 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.9 t -73.28 165.53 24.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -82.24 -35.59 28.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -75.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.74 171.11 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -110.46 -18.53 13.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 2.6 pt-20 -88.66 -22.41 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.59 108.43 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.463 HG21 ' CG2' ' A' ' 66' ' ' THR . 0.2 OUTLIER -106.73 92.55 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.69 -56.28 12.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 ' CE1' ' A' ' 111' ' ' HIS . 3.4 t -126.58 149.61 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -130.52 95.07 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.458 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 84.8 m -112.65 150.44 31.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 51.6 mtt85 -122.17 -174.5 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 63' ' ' ALA . 23.5 m -98.91 -27.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -75.22 -16.67 60.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.571 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 21.7 m-85 -110.48 -0.22 17.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.96 152.87 39.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.39 -41.12 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 88' ' ' MET . 26.8 t80 -176.61 169.26 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.513 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 18.7 ptp -169.01 -160.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.61 -164.14 28.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 77.2 t -116.54 121.35 67.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.5 -176.86 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.401 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 12.2 mmmt -40.38 -61.93 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -74.24 152.92 39.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.47 HG23 ' CE1' ' A' ' 95' ' ' HIS . 21.4 m -78.35 -5.59 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.554 ' O ' ' CE3' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -103.2 43.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 16.6 p -151.4 132.14 14.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.504 ' CZ ' HG21 ' A' ' 126' ' ' VAL . 50.8 t80 -141.8 124.05 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.433 ' CB ' HG23 ' A' ' 112' ' ' VAL . . . -143.1 152.42 41.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.458 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 32.0 p90 -143.05 141.37 31.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 17.2 mt -88.58 114.93 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.458 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 24.5 ptm -98.09 161.35 13.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 31' ' ' PRO . 34.7 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.501 0.191 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.418 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 65.2 mt-10 -106.18 129.28 54.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.9 t -104.59 109.5 21.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 78.3 m-70 -90.46 102.48 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.433 HG23 ' CB ' ' A' ' 98' ' ' ALA . 73.4 t -82.65 144.86 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 91.9 m-85 -146.99 162.75 38.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.554 ' CE3' ' O ' ' A' ' 95' ' ' HIS . 32.8 t-105 -115.06 111.42 21.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.1 m -109.71 145.18 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.7 mt-10 -132.09 147.25 65.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.01 -35.37 2.94 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.974 0.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -124.02 156.7 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -89.33 41.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.94 -51.09 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -58.84 -49.27 78.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.1 t -59.9 -66.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.478 ' HA ' ' CE1' ' A' ' 97' ' ' PHE . 21.2 t -45.12 -37.85 4.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.35 -57.75 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.08 -29.67 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.504 HG21 ' CZ ' ' A' ' 97' ' ' PHE . 84.2 t -77.6 -56.56 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -54.69 -46.11 74.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG2' ' HB1' ' A' ' 61' ' ' ALA . 53.4 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.67 110.08 15.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -105.43 130.17 53.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -129.28 115.86 18.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 99.94 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' VAL . 13.7 m -124.81 154.85 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -88.24 144.3 26.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -94.96 102.97 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.55 HD23 ' CZ2' ' A' ' 53' ' ' TRP . 0.6 OUTLIER -68.12 -43.23 78.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.4 156.38 6.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.466 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 26.2 ttp -94.42 107.22 19.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 0.806 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.91 141.43 22.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.05 23.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.78 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.8 m -152.26 166.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.74 -41.8 4.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 118.58 63.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 18.3 Cg_endo -75.0 -5.54 16.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.81 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 m -152.16 154.34 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' ASP . . . 137.19 -16.06 3.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 68.02 -59.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.937 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -39.71 -55.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -60.43 -40.31 90.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' MET . 0.7 OUTLIER -54.93 -54.45 42.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -62.44 -51.67 66.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -40.43 -45.41 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.3 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.8 mt -53.97 -65.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -42.25 -42.13 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -56.57 -59.76 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -51.87 -51.93 53.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.431 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 3.2 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 17.9 tttm -73.56 -49.46 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -65.5 -35.83 82.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -49.05 -28.68 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 7.8 m0 -73.14 125.51 90.9 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 108.04 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 137.69 22.14 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.43 102.66 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.472 HG23 ' CG1' ' A' ' 67' ' ' VAL . 12.7 m -112.9 168.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -114.37 138.23 50.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.6 ttm -100.74 104.52 15.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 26.0 t-20 -80.64 136.36 36.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 125' ' ' ALA . 48.3 t -133.85 109.56 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -164.27 166.3 21.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' ALA . 13.1 t0 40.23 35.23 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 53.39 55.6 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.47 HG22 ' CG ' ' A' ' 81' ' ' ARG . 19.2 m -144.88 157.15 44.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.469 ' CG2' HG13 ' A' ' 126' ' ' VAL . 3.7 t -122.32 99.61 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.481 ' CG2' HG21 ' A' ' 76' ' ' VAL . 29.3 m -111.88 119.85 39.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.424 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.507 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 59.6 t -85.64 106.51 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.2 mt -99.63 159.77 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.7 t -85.18 166.08 16.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -88.11 -34.78 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.319 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -65.41 -51.99 56.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -115.41 167.25 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -109.6 -17.1 13.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.07 10.3 41.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -97.41 74.62 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 66' ' ' THR . 1.6 p -73.41 97.76 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' VAL . 6.9 mt -60.55 -46.18 91.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.0 150.35 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -133.33 97.35 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 0.4 OUTLIER -111.81 151.09 29.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.577 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 46.4 mtt180 -123.98 168.99 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.4 m -83.44 -28.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -75.25 -16.24 60.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.577 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 17.7 m-85 -110.61 -1.92 16.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.12 154.21 35.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.5 m -117.76 -36.49 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.956 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.607 ' CE2' ' O ' ' A' ' 88' ' ' MET . 40.2 t80 -178.4 173.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.607 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -162.84 -150.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.9 156.28 8.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 69.2 t -81.08 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.67 -171.96 2.15 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -43.54 -64.08 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.58 163.28 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 119' ' ' ALA . 35.0 m -85.32 -8.77 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.425 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -99.39 17.1 21.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 p -122.58 129.65 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.443 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 47.3 t80 -140.02 127.07 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.43 145.48 33.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 6.9 p90 -132.75 140.0 47.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.8 mt -89.72 126.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.504 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 26.4 ptm -120.12 165.18 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.525 0.202 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.466 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 18.7 mt-10 -128.32 135.88 50.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.95 112.28 23.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 81.4 m-70 -93.76 105.74 17.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.566 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.38 142.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.8 m-85 -146.85 161.17 41.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . 0.425 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 27.9 t-105 -114.57 111.52 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.02 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.4 m -109.63 143.51 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.5 mt-10 -131.6 149.28 73.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -26.28 9.41 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.997 0.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -134.91 156.87 48.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -90.15 39.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.42 -41.99 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -72.44 -42.65 64.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.36 -66.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.4 t -45.14 -37.78 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.38 -58.51 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.414 ' O ' ' CG1' ' A' ' 60' ' ' VAL . . . -51.76 -22.79 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.469 HG13 ' CG2' ' A' ' 65' ' ' VAL . 72.2 t -91.16 -45.73 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . 0.451 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 2.2 mm-40 -64.39 -54.91 25.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -104.27 109.32 21.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -109.57 123.03 48.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -123.76 118.72 27.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.01 99.9 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 m -125.37 157.99 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 54.3 mt-30 -88.69 154.83 19.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.92 103.26 12.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.567 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 1.9 mp -67.49 -47.32 70.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.34 -176.32 28.13 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.518 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 11.7 ttp -114.93 114.9 26.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.73 128.21 25.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.12 42.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.7 m -151.48 148.54 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.23 -43.4 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.48 119.04 75.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.59 20.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 m -142.48 155.21 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.81 114.58 2.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mtp -63.14 -39.17 93.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.27 -67.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -52.45 -46.52 66.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.15 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -47.94 -39.36 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -36.96 85.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.44 -32.25 72.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' MET . 10.1 mt -69.71 -70.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 43' ' ' ASN . 5.6 pt-20 -37.61 -47.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . 0.505 ' N ' ' CG ' ' A' ' 42' ' ' GLU . 3.9 t-20 -59.69 -54.68 43.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.456 HD13 ' CG2' ' A' ' 112' ' ' VAL . 6.2 mt -64.92 -14.07 58.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ILE . 51.2 mtp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.558 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 8.5 tttm -64.53 -55.64 19.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.49 -30.7 71.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -22.08 9.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 7.5 m0 -77.49 127.22 83.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.24 25.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.76 102.29 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.466 HG23 ' CG1' ' A' ' 67' ' ' VAL . 5.3 m -110.72 176.18 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -119.32 141.14 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.1 tpp -106.82 98.19 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 44.5 t-20 -80.76 140.52 35.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.432 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 44.1 t -133.6 108.74 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' ASP . . . -158.19 165.13 35.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' ALA . 16.2 t0 40.38 42.01 1.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 82' ' ' VAL . . . 48.79 53.26 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 80' ' ' CYS . 23.7 m -146.42 155.08 42.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.452 ' CG2' HG11 ' A' ' 126' ' ' VAL . 2.7 t -120.3 99.64 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.44 ' CG2' HG21 ' A' ' 76' ' ' VAL . 69.5 m -107.83 119.55 39.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 56' ' ' VAL . 61.4 t -85.48 106.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.1 mt -101.06 151.53 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.1 t -68.55 157.1 36.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -68.74 -48.85 62.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 64.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 166.4 113.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.04 62.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -178.1 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -65.87 69.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' GLU . 1.5 p -62.81 100.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' CD1' HG11 ' A' ' 56' ' ' VAL . 8.9 mt -60.69 -46.99 88.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.423 HG21 ' CE1' ' A' ' 111' ' ' HIS . 20.1 t -143.02 143.43 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.2 98.06 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 4.3 t -100.0 146.03 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 108.312 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.417 ' CG ' HG21 ' A' ' 64' ' ' THR . 13.0 mtt180 -125.5 131.35 52.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.451 HG22 ' CB ' ' A' ' 63' ' ' ALA . 3.6 m -59.95 -18.53 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.99 -20.53 38.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -107.84 -3.4 19.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.17 152.35 41.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 m -117.17 -35.56 4.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 88' ' ' MET . 35.4 t80 -177.52 168.53 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.603 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 19.8 ptp -169.23 -164.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.39 176.08 20.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.2 t -94.09 138.25 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.79 -175.66 15.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -42.05 -57.32 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.52 151.64 30.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.492 HG21 ' CE1' ' A' ' 95' ' ' HIS . 25.1 m -77.48 -6.79 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . 0.492 ' CE1' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -102.83 39.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.2 p -151.23 128.08 10.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.443 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 27.3 t80 -133.97 133.68 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -147.58 152.58 38.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 8.7 p90 -146.41 143.06 28.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.8 mt -88.47 126.91 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.41 ' SD ' ' CD2' ' A' ' 111' ' ' HIS . 26.4 ptm -124.56 163.13 22.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.509 0.195 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.481 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 46.3 mm-40 -114.28 152.02 32.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 t -126.39 112.35 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 63.9 m-70 -94.17 113.96 25.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.637 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.456 ' CG2' HD13 ' A' ' 44' ' ' LEU . 89.3 t -91.6 143.33 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.7 m-85 -146.75 163.1 37.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -118.11 122.54 43.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.0 m -124.55 142.31 51.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 108.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.2 mt-10 -124.2 146.5 51.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.05 -44.52 0.55 Allowed 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.948 0.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.88 151.2 37.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -88.14 44.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.92 -52.79 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -57.81 -49.94 74.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.433 HG12 ' CD2' ' A' ' 97' ' ' PHE . 27.9 t -57.75 -68.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.9 t -43.82 -40.63 4.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.7 -55.04 14.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.18 -34.31 44.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.469 HG12 ' CE ' ' A' ' 88' ' ' MET . 69.1 t -74.81 -48.02 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -62.08 -50.26 72.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -47.77 -58.67 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.43 139.9 35.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.29 -148.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 t -118.64 154.34 32.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.989 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.89 168.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.74 107.01 1.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.91 5.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 10' ' ' PRO . 2.5 m -134.8 146.64 59.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.99 63.93 6.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.422 ' NZ ' ' O ' ' A' ' 10' ' ' PRO . 0.3 OUTLIER -176.23 126.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.4 p -128.19 176.63 7.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.352 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.96 166.7 10.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.6 128.15 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG11 ' CE ' ' A' ' 17' ' ' LYS . 77.1 t -123.58 141.69 42.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' N ' HG12 ' A' ' 15' ' ' VAL . 17.1 mt-30 -118.51 109.69 16.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' CE ' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -104.62 131.18 52.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.77 115.65 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.49 100.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 56' ' ' VAL . 11.5 m -125.92 158.12 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.9 mt-30 -88.48 153.04 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -105.4 103.83 13.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.513 ' HG ' ' CE2' ' A' ' 53' ' ' TRP . 0.9 OUTLIER -68.65 -46.92 67.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.19 -174.4 30.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.459 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 18.6 ttp -116.41 110.29 18.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -111.74 127.6 26.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 155.89 42.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.1 m -144.2 150.63 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.37 -50.14 8.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 115.28 53.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -5.33 16.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.8 m -142.29 142.68 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.39 160.04 9.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -101.49 -47.6 4.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.01 -60.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m -56.39 -42.38 77.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -53.52 -61.15 2.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -54.69 -51.52 65.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.2 t -47.27 -46.33 24.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.29 -56.43 22.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -52.22 -67.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -39.45 -40.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -61.05 -56.82 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' SER . 11.8 mt -61.72 -47.87 83.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 mtt -38.21 -58.94 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -56.81 -37.36 71.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' LEU . 3.6 m -76.66 129.43 36.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m 62.06 129.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.023 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.5 m -62.23 179.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 19.0 tttm -72.95 -50.55 22.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.2 -27.01 68.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.09 -37.75 88.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.513 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 11.0 m0 -61.36 127.22 87.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 108.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 135.08 18.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 102.47 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.439 HG22 ' CG1' ' A' ' 67' ' ' VAL . 4.5 m -111.73 175.33 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -121.79 140.8 51.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 tpp -102.78 103.89 14.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 22.0 t-20 -81.31 136.84 35.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.453 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 81.0 t -135.32 113.05 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.426 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -166.3 166.82 16.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t70 40.73 37.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' CB ' HG21 ' A' ' 82' ' ' VAL . . . 53.17 54.06 10.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 16.5 m -145.43 158.78 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.5 t -126.92 102.89 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 99.6 m -115.3 122.1 44.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.397 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.439 ' CG1' HG22 ' A' ' 56' ' ' VAL . 87.8 t -85.48 107.14 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.416 HG21 ' N ' ' A' ' 69' ' ' SER . 13.7 mt -99.38 145.29 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 70' ' ' GLU . 6.2 t -62.01 177.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' N ' ' OG ' ' A' ' 69' ' ' SER . 7.1 tt0 -93.02 -42.47 9.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -95.89 47.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m120 172.43 111.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.61 1.68 50.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -106.28 -43.3 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -52.61 139.91 24.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.0 t -124.66 93.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 69' ' ' SER . 3.6 mt -56.88 -64.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.441 HG22 ' CE1' ' A' ' 111' ' ' HIS . 24.8 t -125.03 141.88 43.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -123.26 101.3 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.401 ' SG ' ' SD ' ' A' ' 101' ' ' MET . 94.7 m -113.08 150.06 32.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 108.26 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -126.92 141.9 51.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.471 HG21 ' CB ' ' A' ' 63' ' ' ALA . 5.8 m -62.24 -20.82 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -22.71 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.31 0.43 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.77 161.94 28.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.82 -43.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CD2' ' N ' ' A' ' 88' ' ' MET . 43.5 t80 -171.43 173.19 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.526 ' N ' ' CD2' ' A' ' 87' ' ' PHE . 16.9 ptp -172.24 -158.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 143.38 170.84 13.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.464 ' CG1' ' HA ' ' A' ' 94' ' ' VAL . 73.5 t -91.45 125.7 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -61.91 -171.7 1.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -40.37 -65.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -75.99 147.44 38.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' ' CG1' ' A' ' 90' ' ' VAL . 21.2 m -76.59 -4.46 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.2 m80 -99.34 36.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.616 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 23.4 p -150.46 139.45 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.464 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 49.0 t80 -140.67 127.39 20.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -140.58 146.92 38.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.491 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 18.1 p90 -144.41 140.48 29.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.414 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 21.1 mt -88.0 123.14 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.401 ' SD ' ' SG ' ' A' ' 80' ' ' CYS . 26.1 ptm -110.01 165.03 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -114.81 118.61 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.9 p -101.89 -36.29 8.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.69 162.38 10.25 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 106' ' ' GLN . 2.9 m120 63.3 55.01 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 105' ' ' ASN . 3.8 mt-30 37.34 49.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 135.18 49.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.35 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.414 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 31.5 m-85 -131.32 139.3 49.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -120.85 134.66 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 19.0 t -110.21 112.08 23.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 108.287 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 78.7 m-70 -91.49 109.96 21.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 97.2 t -86.11 143.02 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 96.9 m-85 -146.78 164.69 31.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -120.25 116.52 25.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -115.69 144.71 43.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 108.306 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.488 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.0 mp0 -128.59 149.55 72.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.595 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.3 Cg_endo -75.0 -12.69 23.92 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.0 -0.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 118' ' ' ASN . 0.3 OUTLIER -157.1 148.27 21.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -81.59 51.62 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.49 -48.71 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -71.58 -42.15 68.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 14.6 t -59.64 -58.68 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 6.8 t -52.58 -41.48 63.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.9 -55.95 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -49.89 -34.18 19.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.459 HG13 ' CE ' ' A' ' 88' ' ' MET . 58.6 t -81.42 -44.44 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 123' ' ' SER . 4.6 mm100 -60.51 -54.79 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.23 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.08 -31.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.422 ' N ' ' C ' ' A' ' 127' ' ' GLN . . . -80.45 -54.63 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 43.4 m -55.17 -61.91 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 t 39.76 90.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -122.92 169.56 15.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.12 21.1 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.444 1.76 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.2 -24.16 13.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 47.53 50.43 14.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.448 1.093 . . . . 0.0 110.966 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -115.26 161.58 18.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -169.72 146.78 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 142.73 7.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.123 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.36 158.39 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -177.17 -41.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.72 155.48 0.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 140.53 25.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.2 p -57.0 157.7 10.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 74.97 3.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 170.07 18.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -169.82 145.8 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.7 142.87 45.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.77 149.68 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 ' CG2' ' HB1' ' A' ' 61' ' ' ALA . 93.9 t -135.57 150.43 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 27.5 mt-30 -121.94 110.03 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -102.53 125.07 49.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 81.4 m-85 -124.18 110.17 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.16 99.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 56' ' ' VAL . 3.3 m -127.69 162.57 33.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 31.0 mt-30 -88.49 161.89 16.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -113.57 102.15 10.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.575 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 1.2 mp -64.51 -45.99 84.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.69 169.98 11.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -97.64 135.79 38.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -135.69 127.47 17.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 146.93 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.3 m -142.12 146.71 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -56.92 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 118.33 62.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -11.64 21.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.8 m -138.45 174.93 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.56 148.9 20.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -35.39 17.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.05 -66.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.8 m -51.01 -47.81 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 tp -44.79 -68.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -50.36 -57.02 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.21 -47.12 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.45 -58.14 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.3 mt -52.02 -65.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -38.85 -37.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.89 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.9 mt -49.56 -54.64 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -64.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.9 t -78.32 57.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -154.61 -61.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -108.6 160.33 16.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.971 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 m -75.69 164.0 26.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 10.2 tttm -67.31 -52.85 35.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.41 -27.63 69.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -17.82 16.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.575 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 9.2 m0 -82.08 127.59 71.22 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.12 23.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.9 102.07 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' VAL . 12.1 m -111.06 171.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -116.03 136.68 52.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.446 ' HE2' ' CD2' ' A' ' 113' ' ' PHE . 10.0 tpp -99.64 107.37 19.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -85.31 137.3 33.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.0 t -135.39 110.68 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.469 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -167.25 168.17 13.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t0 41.53 37.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.466 ' CB ' HG23 ' A' ' 82' ' ' VAL . . . 50.77 51.89 16.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 80' ' ' CYS . 52.4 m -144.15 155.05 43.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' CG2' HG12 ' A' ' 126' ' ' VAL . 3.0 t -119.89 101.37 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 95.0 m -111.6 133.0 54.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.59 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 69' ' ' SER . 6.8 mt -95.88 143.89 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.419 ' N ' HG21 ' A' ' 68' ' ' ILE . 28.8 t -65.38 170.93 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.93 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.435 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 9.1 tt0 -97.4 -47.67 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -36.97 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -123.66 115.3 21.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.17 52.45 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -158.0 -44.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -52.77 119.03 4.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -94.94 93.15 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 mt -56.89 -60.57 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.51 147.68 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -131.33 101.27 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.461 ' O ' ' CG2' ' A' ' 64' ' ' THR . 0.9 OUTLIER -108.51 150.39 27.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 108.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.424 ' CG ' HG23 ' A' ' 64' ' ' THR . 17.4 mtp85 -123.58 136.65 54.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.466 HG23 ' CB ' ' A' ' 63' ' ' ALA . 14.1 m -60.03 -18.99 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -81.03 -25.66 36.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.415 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -101.03 -8.45 22.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -65.33 161.06 20.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 72.2 m -124.23 -41.8 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CE2' ' O ' ' A' ' 88' ' ' MET . 42.6 t80 -177.35 172.69 1.83 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.529 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 15.3 ptp -169.56 -158.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 150.87 175.4 22.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.6 t -97.39 115.11 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -51.24 -175.79 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -40.78 -72.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.5 OUTLIER -64.43 164.08 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.7 m -86.84 -12.52 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.48 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -95.65 22.92 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 20.0 p -126.13 145.78 50.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 47.0 t80 -156.07 139.44 15.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -156.77 152.16 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.548 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 10.7 p90 -146.76 140.98 26.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.407 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 17.3 mt -88.23 121.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.406 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 26.7 ptm -110.93 161.42 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -115.52 122.46 45.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.9 p -100.87 -49.06 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.352 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.97 155.47 6.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER 68.95 56.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 105' ' ' ASN . 3.6 mt-30 38.19 56.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -128.83 142.0 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.407 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 19.1 m-85 -137.42 127.26 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -114.08 134.49 54.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.2 t -111.96 108.75 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 76.9 m-70 -89.33 111.46 22.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.615 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.2 t -88.81 143.11 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.9 m-85 -146.65 162.33 38.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 15.8 t-105 -120.59 109.14 14.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 2.9 m -105.67 153.78 21.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.282 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 18.4 mt-10 -139.0 149.74 62.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -8.0 23.49 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.007 0.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -158.1 157.67 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.21 23.94 3.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.93 -40.71 65.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -76.81 -36.24 57.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 t -68.37 -66.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 13.7 t -46.42 -38.2 8.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.86 -49.66 64.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.64 -27.37 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.455 HG12 ' CG2' ' A' ' 65' ' ' VAL . 69.2 t -83.57 -42.98 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 123' ' ' SER . 5.7 mm-40 -64.36 -49.96 69.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.93 -27.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -78.24 -62.54 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 38.8 t -51.94 -38.88 58.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.339 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.9 t -63.43 -63.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 118.85 -155.88 15.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 87.93 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.0 m -153.28 135.44 14.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.9 t -136.72 164.84 27.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.097 . . . . 0.0 111.043 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.8 146.51 49.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 0.802 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.32 165.83 14.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.941 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.58 106.74 2.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 p -81.93 131.96 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.39 111.2 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.2 122.28 7.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 59.44 5.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.8 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.2 p 38.76 88.66 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 75.91 3.54 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 134.05 46.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.4 t -171.99 154.42 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.77 143.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 167.28 9.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.433 ' CG2' ' HB3' ' A' ' 61' ' ' ALA . 72.6 t -131.52 147.54 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.415 ' NE2' ' HB1' ' A' ' 125' ' ' ALA . 27.8 mt-30 -121.78 109.93 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -105.15 130.17 53.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -125.84 120.86 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 100.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 115' ' ' CYS . 17.8 m -128.28 156.32 40.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 58.4 mt-30 -88.57 143.54 26.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -94.46 114.93 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.572 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 1.6 mp -80.51 -44.43 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.04 177.24 17.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.478 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 21.4 ttp -108.76 113.58 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -109.75 127.43 27.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.52 36.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.39 166.67 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.43 -54.8 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 121.39 85.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -8.26 19.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -136.79 -172.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.15 155.5 32.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.56 -39.58 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.29 -62.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -53.46 -45.1 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tp -48.0 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -49.89 -50.15 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -49.5 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.69 -64.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.2 mt -41.71 -68.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -40.55 -43.68 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -52.52 -60.13 3.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.93 -59.26 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.31 -64.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.1 p -69.39 60.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 t -169.1 -65.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -94.68 149.09 21.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.542 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 15.5 m -73.05 176.49 5.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.55 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 1.7 tttt -77.59 -52.48 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.65 -28.33 69.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -58.68 -18.14 28.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.572 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 10.5 m0 -84.23 125.02 73.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.0 26.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.8 103.19 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 m -111.92 172.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -121.49 136.05 54.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.1 tpp -97.22 104.44 16.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 28.9 t-20 -80.79 137.59 36.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 71.5 t -135.21 103.66 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.433 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -159.3 168.29 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t0 40.25 32.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.444 ' CB ' HG22 ' A' ' 82' ' ' VAL . . . 54.87 53.75 10.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.444 HG21 ' CG ' ' A' ' 81' ' ' ARG . 55.3 m -144.9 153.87 42.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 80' ' ' CYS . 2.7 t -117.41 99.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.461 ' CG2' HG23 ' A' ' 76' ' ' VAL . 18.8 m -111.53 125.17 53.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.38 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.402 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 48.7 t -90.16 111.82 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.9 mt -107.12 157.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -71.05 166.75 20.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.22 -34.54 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -85.73 -90.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -47.24 156.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -116.36 -8.65 11.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.03 -20.79 13.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -70.35 102.16 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG23 ' CG2' ' A' ' 66' ' ' THR . 0.2 OUTLIER -99.85 95.81 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.52 -51.04 66.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.511 HG21 ' CE1' ' A' ' 111' ' ' HIS . 3.8 t -134.09 151.07 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -133.64 95.16 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.408 ' O ' ' N ' ' A' ' 65' ' ' VAL . 66.6 m -104.43 150.48 24.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' CG ' HG21 ' A' ' 64' ' ' THR . 6.8 mtm180 -125.87 138.99 53.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.444 HG22 ' CB ' ' A' ' 63' ' ' ALA . 14.6 m -60.05 -19.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -22.96 40.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -105.52 0.33 26.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -75.23 157.7 34.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 m -122.65 -41.03 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 88' ' ' MET . 32.9 t80 -174.06 170.53 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.51 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 15.1 ptp -170.65 -158.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.061 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 146.15 177.64 20.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 40.8 t -97.92 119.56 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.35 -174.15 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -40.1 -73.74 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.797 . . . . 0.0 109.266 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.4 OUTLIER -60.19 163.85 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.554 HG22 ' CE1' ' A' ' 95' ' ' HIS . 24.7 m -86.38 -11.1 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.554 ' CE1' HG22 ' A' ' 94' ' ' VAL . 0.7 OUTLIER -100.99 31.85 3.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 4.7 p -132.24 133.71 44.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -146.58 121.63 10.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -137.01 149.27 47.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.458 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 23.4 p90 -145.25 142.68 29.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 mt -87.9 132.34 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.8 ptm -124.7 164.91 18.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.34 116.5 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 60.4 p -95.82 -18.41 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 105' ' ' ASN . . . 147.84 143.78 3.88 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 104' ' ' GLY . 3.6 m-20 80.48 -160.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -92.79 18.25 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -95.78 153.26 17.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -140.1 150.87 44.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -124.98 139.07 54.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 49.5 t -118.46 110.32 17.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.277 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 87.0 m-70 -90.83 116.25 28.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 113' ' ' PHE . 74.0 t -91.98 141.59 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.1 m-85 -146.82 162.86 37.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.438 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 9.8 t-105 -116.53 103.0 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.403 ' HA ' ' CG1' ' A' ' 20' ' ' VAL . 8.9 m -94.64 151.64 19.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.2 mt-10 -140.86 150.43 59.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.529 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.4 Cg_endo -74.95 -9.81 23.89 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.004 -0.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -151.43 160.2 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.354 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.78 33.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.63 -46.17 9.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.0 -43.52 67.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 t -61.23 -65.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 30.2 t -48.79 -33.92 11.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.01 -57.15 5.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.415 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -54.83 -24.36 22.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.455 ' CG1' ' HE1' ' A' ' 88' ' ' MET . 99.2 t -87.78 -53.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 123' ' ' SER . 0.9 OUTLIER -52.34 -56.23 16.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.88 -32.2 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -69.18 -66.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 47.6 t -43.85 -59.67 2.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 108.318 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.01 -62.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.62 -160.96 27.75 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 83.57 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.9 m -154.53 136.03 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.1 t -155.19 79.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m 56.62 166.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.777 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -144.46 170.64 15.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.19 -155.71 8.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.13 166.57 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -175.69 166.06 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.14 116.12 0.69 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.84 9.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.9 p -101.09 107.92 52.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.01 17.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 159.87 29.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 t -170.25 140.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -126.04 83.26 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tt 59.85 154.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.47 ' CG2' ' HB3' ' A' ' 61' ' ' ALA . 86.2 t -133.96 155.67 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -125.38 110.12 13.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -107.61 126.43 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CD2' HG22 ' A' ' 122' ' ' VAL . 70.0 m-85 -126.93 115.43 19.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.44 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.48 99.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 17.2 m -122.61 158.47 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -89.34 142.21 27.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.445 ' OH ' ' CG2' ' A' ' 78' ' ' VAL . 0.7 OUTLIER -94.88 113.02 24.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.549 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 0.5 OUTLIER -79.63 -45.46 19.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 141.68 162.99 9.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -91.44 133.59 35.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.72 128.5 21.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 158.74 41.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.8 m -142.68 152.89 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.57 -49.05 11.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -91.38 136.2 27.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -16.11 20.55 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.768 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.1 m -133.89 167.63 25.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.55 126.16 3.69 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.2 mtp -71.52 -45.9 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -60.85 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 m -54.69 -37.97 66.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -61.02 -66.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -49.72 -56.84 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -41.85 -45.08 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.76 -61.68 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.7 mt -47.07 -66.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.06 -44.55 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.88 -57.72 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.46 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 14.8 mt -59.11 -45.82 89.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.57 -64.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.5 p -49.36 -50.29 40.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.3 p -65.28 129.62 40.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.949 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 m 62.12 128.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.7 m -61.59 -179.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.2 tttm -71.78 -50.27 31.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -63.3 -38.3 90.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -49.23 -32.94 11.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.549 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 15.4 m0 -65.81 128.1 93.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.65 23.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.51 102.14 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG21 ' CG1' ' A' ' 67' ' ' VAL . 5.1 m -110.7 172.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -116.17 143.67 45.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.3 tpp -107.14 104.32 13.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 28.0 t-20 -80.93 136.47 36.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.434 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 60.4 t -135.36 97.69 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -153.97 167.36 30.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.7 t0 41.0 37.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.474 ' O ' ' CG2' ' A' ' 82' ' ' VAL . . . 51.59 52.85 13.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.3 m -143.52 153.33 42.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -120.6 100.5 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.469 ' CG2' HG23 ' A' ' 76' ' ' VAL . 49.6 m -115.32 122.92 47.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.402 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.467 ' CG1' HG21 ' A' ' 56' ' ' VAL . 59.5 t -85.01 100.9 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 69' ' ' SER . 5.0 mt -94.17 147.95 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 68' ' ' ILE . 44.6 t -70.24 159.43 34.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 6.3 tt0 -75.92 -50.64 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -89.16 45.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.67 163.62 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -126.08 -51.6 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.36 -13.14 61.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -80.65 110.54 16.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.469 HG23 ' CG2' ' A' ' 66' ' ' THR . 0.2 OUTLIER -110.09 92.83 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.19 -58.69 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.445 ' CG2' ' OH ' ' A' ' 22' ' ' TYR . 6.1 t -128.42 144.0 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.27 104.17 8.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.41 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 99.1 m -117.11 146.22 43.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -118.81 148.41 42.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 63' ' ' ALA . 13.2 m -70.94 -24.62 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 84' ' ' PHE . 1.6 ppt_? -74.67 -19.35 60.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.451 ' CE2' ' CZ ' ' A' ' 83' ' ' ARG . 1.6 m-85 -105.63 -7.1 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.41 147.63 52.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.3 m -115.17 -34.42 5.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.04 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 88' ' ' MET . 48.5 t80 -178.27 170.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.573 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.01 -149.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 131.93 150.19 6.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 t -73.28 141.6 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.03 -178.04 30.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -41.85 -49.91 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -87.03 157.93 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.516 HG22 ' CE1' ' A' ' 95' ' ' HIS . 21.2 m -82.98 -5.69 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.5 OUTLIER -102.08 17.23 23.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.578 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 p -126.37 131.35 51.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -135.94 136.16 40.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -149.84 144.68 26.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.477 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 7.1 p90 -143.57 146.7 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.3 mt -94.79 128.61 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.469 ' SD ' ' CG2' ' A' ' 103' ' ' THR . 2.1 ppp? -120.04 165.88 14.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.25 106.88 13.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.469 ' CG2' ' SD ' ' A' ' 101' ' ' MET . 55.7 p -77.79 -58.31 3.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.369 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 105' ' ' ASN . . . -175.86 138.23 4.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 104' ' ' GLY . 1.8 t-20 75.97 -164.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -80.89 51.27 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.78 147.03 50.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -139.45 137.3 35.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -109.09 138.08 45.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.0 t -117.74 101.65 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.418 ' CE1' HG13 ' A' ' 78' ' ' VAL . 65.6 m-70 -84.2 147.74 27.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.441 ' CG2' HD13 ' A' ' 44' ' ' LEU . 98.7 t -122.7 138.33 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.401 ' CZ ' HG21 ' A' ' 67' ' ' VAL . 85.2 m-85 -146.71 165.43 29.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.555 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 11.0 t-105 -119.17 114.58 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -107.59 151.24 25.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.257 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.49 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 26.3 mt-10 -139.98 151.04 64.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.49 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -74.99 -9.66 23.98 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.982 -0.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -153.71 154.66 34.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.55 37.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.94 -39.84 15.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -77.88 -40.05 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.42 HG22 ' CD2' ' A' ' 18' ' ' PHE . 3.6 t -63.69 -63.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.2 t -48.87 -39.91 27.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.36 -56.71 11.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.39 -34.5 34.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 78.8 t -75.34 -49.69 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 129' ' ' ALA . 3.8 mm-40 -59.8 -55.11 38.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -42.54 -29.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 127' ' ' GLN . . . -78.22 -55.31 5.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 4.9 t -51.54 -60.86 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 108.257 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.87 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.59 -171.72 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.95 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.3 m -79.43 155.15 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -58.68 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 m 57.37 166.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.783 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -141.06 -58.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.72 -129.9 47.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.451 1.095 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 66.42 100.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 p -149.71 144.36 26.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.91 121.7 1.53 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -179.95 5.47 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.761 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 p -131.03 116.18 16.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.371 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 179.0 6.52 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.77 149.99 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 t -167.38 129.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.85 64.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.34 128.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.461 ' CG2' ' HE3' ' A' ' 17' ' ' LYS . 1.7 m -75.46 162.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.425 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 6.7 mt-30 -103.52 109.19 20.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' HE3' ' CG2' ' A' ' 15' ' ' VAL . 17.7 mttt -105.7 125.75 51.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 80.0 m-85 -125.09 115.39 20.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.43 99.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 20.4 m -123.72 156.68 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 49.1 mt-30 -88.47 141.12 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -91.08 110.61 21.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.523 HD21 ' CH2' ' A' ' 53' ' ' TRP . 0.4 OUTLIER -78.69 -46.64 18.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 139.07 166.06 10.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 111.051 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.468 ' CG ' ' HB3' ' A' ' 109' ' ' GLU . 17.3 tmm? -94.52 131.84 39.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.976 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -126.26 127.52 24.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.0 37.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.16 171.04 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.42 -50.76 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -85.27 138.13 36.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -25.38 11.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 m -128.81 177.2 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.91 137.51 7.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 99.8 mmm -82.12 -36.98 26.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.89 -65.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -57.8 -38.26 75.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -53.46 -69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -51.0 -57.26 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.94 -46.14 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.81 -53.48 57.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.7 mt -55.48 -67.19 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.45 -39.68 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.12 -59.52 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' SER . 12.4 mt -59.74 -44.43 93.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -59.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -58.34 -33.89 70.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LEU . 17.4 m -78.21 128.75 34.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.5 m 61.66 127.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.7 m -59.05 -178.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.049 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -72.6 -49.99 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -61.46 -34.39 75.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -35.79 59.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.523 ' CH2' HD21 ' A' ' 23' ' ' LEU . 16.1 m0 -65.17 124.96 88.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 139.56 24.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.29 102.28 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG21 ' CG1' ' A' ' 67' ' ' VAL . 5.1 m -110.68 173.99 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -119.56 141.22 49.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.4 tpp -107.52 101.75 11.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 42.9 t-20 -80.98 139.54 35.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 45.0 t -133.23 102.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -152.38 165.35 35.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.67 42.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.468 ' CB ' HG23 ' A' ' 82' ' ' VAL . . . 47.76 52.96 12.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.44 HG21 ' CG ' ' A' ' 81' ' ' ARG . 23.2 m -144.88 156.15 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -120.74 103.67 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -113.62 119.02 36.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG1' HG21 ' A' ' 56' ' ' VAL . 62.3 t -87.0 100.88 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.9 mt -91.45 157.62 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -77.33 170.37 16.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -88.72 -44.0 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -63.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.39 161.64 14.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -113.59 -32.35 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.32 -22.75 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -63.47 158.89 19.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.7 t -143.42 92.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.87 -50.4 72.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 67' ' ' VAL . 8.9 t -144.69 142.15 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -126.56 102.19 7.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.486 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 0.1 OUTLIER -111.74 150.4 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.275 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.44 ' CG ' HG21 ' A' ' 64' ' ' THR . 1.3 mtt180 -125.34 139.69 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.468 HG23 ' CB ' ' A' ' 63' ' ' ALA . 16.9 m -59.06 -19.24 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -27.83 38.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.99 1.18 39.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.444 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -78.89 153.73 30.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -39.66 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.427 ' CG ' ' N ' ' A' ' 88' ' ' MET . 76.1 t80 -178.19 174.08 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.461 ' CE ' HG11 ' A' ' 126' ' ' VAL . 21.3 ptp -170.23 -161.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 149.39 173.02 19.58 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.76 128.82 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.747 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.85 -179.0 2.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -41.76 -45.16 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.236 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -88.98 157.43 18.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 119' ' ' ALA . 33.7 m -83.92 -3.06 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.435 ' CE1' HG23 ' A' ' 94' ' ' VAL . 0.2 OUTLIER -105.07 17.2 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.565 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -125.45 125.6 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -133.99 128.11 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.55 151.87 42.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 8.4 p90 -147.1 141.15 26.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.0 mt -88.13 129.4 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 27.6 ptm -120.79 164.56 16.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.99 120.73 36.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -100.48 -45.93 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 105' ' ' ASN . . . 173.14 147.37 5.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 104' ' ' GLY . 3.3 m120 73.19 -170.59 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.66 46.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -128.68 137.03 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -127.4 136.4 51.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 54.4 mt-10 -103.25 138.82 39.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.0 t -120.24 104.85 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 63.0 m-70 -84.3 143.34 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.594 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 60.5 t -117.79 139.8 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 91.9 m-85 -146.02 161.42 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -113.88 110.94 20.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.051 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 6.5 m -104.57 147.43 27.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mt-10 -139.68 149.76 60.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.04 -17.36 20.17 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.938 -2.526 . . . . 0.0 111.038 -0.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -140.61 160.03 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -95.29 24.94 4.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.22 -45.82 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -67.62 -44.8 77.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 4.7 t -60.97 -66.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.8 t -45.64 -39.02 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.85 -53.88 23.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.18 -28.45 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.461 HG11 ' CE ' ' A' ' 88' ' ' MET . 93.8 t -83.08 -53.97 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -57.07 -46.83 82.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.63 -33.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -80.1 -49.01 12.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.45 -45.84 69.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 108.277 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -64.2 -50.59 67.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.12 -146.77 18.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 99.94 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.97 160.99 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 m -101.55 130.49 47.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -162.27 161.84 27.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -163.35 112.13 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.03 159.83 29.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.0 166.89 27.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 p -173.6 133.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.77 153.48 25.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 72.8 p -123.75 133.76 24.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 110.385 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -75.03 71.16 5.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -92.82 130.71 38.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.6 t -92.85 161.12 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 170.04 155.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.21 127.93 34.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 93.4 t -129.88 150.94 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.417 ' N ' HG12 ' A' ' 15' ' ' VAL . 10.5 mt-30 -119.98 109.77 15.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -104.2 125.3 50.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -124.13 111.43 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 103.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.1 m -130.75 161.63 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 47.9 mt-30 -89.25 152.71 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -103.74 101.59 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 53' ' ' TRP . 1.0 OUTLIER -65.71 -45.33 83.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 145.38 161.1 8.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.464 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 28.8 ttp -97.17 107.05 19.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.6 tt -108.77 127.64 26.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 163.55 35.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.441 1.759 . . . . 0.0 110.98 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.5 m -153.42 142.92 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.57 -41.41 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.65 114.65 51.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' O ' ' CG1' ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.97 -2.25 12.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.422 ' CG1' ' O ' ' A' ' 31' ' ' PRO . 33.0 m -154.58 151.51 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.78 120.6 2.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -41.78 93.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -47.11 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 m -49.1 -48.66 44.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.39 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tp -45.69 -59.87 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -58.31 -55.6 32.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -41.73 -40.44 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.98 -64.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.432 HG12 ' CG1' ' A' ' 112' ' ' VAL . 89.6 mt -48.07 -57.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -46.22 -36.36 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -64.57 -60.31 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -53.62 -47.36 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -64.44 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 p -74.76 56.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.408 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.76 -73.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.91 141.51 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -61.15 163.54 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.539 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 19.9 tttm -64.96 -46.82 79.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.02 -30.01 64.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -21.0 8.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.539 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.0 m0 -76.61 127.15 84.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 108.028 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.73 23.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.97 102.2 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.448 HG21 ' CG1' ' A' ' 67' ' ' VAL . 6.5 m -111.13 173.09 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -118.95 141.95 48.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.492 ' HE2' ' CD2' ' A' ' 113' ' ' PHE . 17.9 tpp -104.27 104.83 14.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -81.06 136.59 35.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.26 108.4 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -165.83 168.84 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 t70 40.45 33.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.459 ' CB ' HG22 ' A' ' 82' ' ' VAL . . . 54.23 54.34 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.457 HG21 ' CG ' ' A' ' 81' ' ' ARG . 51.9 m -145.7 153.36 40.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' CYS . 3.3 t -118.67 102.73 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -116.39 124.13 49.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.531 HG23 ' CZ ' ' A' ' 113' ' ' PHE . 87.3 t -89.65 106.37 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG21 ' N ' ' A' ' 69' ' ' SER . 16.2 mt -99.5 145.33 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.425 ' N ' HG21 ' A' ' 68' ' ' ILE . 3.6 t -59.55 171.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -83.73 -46.1 12.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -99.47 64.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 170.32 171.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -133.73 -45.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -9.57 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -84.91 110.33 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.26 99.35 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.43 -53.16 61.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.544 HG21 ' CE1' ' A' ' 111' ' ' HIS . 3.6 t -131.33 148.42 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -133.23 101.45 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' VAL . 94.7 m -115.32 150.41 36.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 108.327 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.457 ' CG ' HG21 ' A' ' 64' ' ' THR . 6.7 mtm180 -121.22 136.31 54.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.459 HG22 ' CB ' ' A' ' 63' ' ' ALA . 7.5 m -60.92 -19.33 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -21.46 44.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -103.04 -19.98 14.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.452 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -49.0 174.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.95 -46.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 88' ' ' MET . 19.2 t80 -167.52 167.25 13.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.511 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 21.0 ptp -167.32 -163.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.408 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 149.62 165.27 12.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 91' ' ' GLY . 74.8 t -89.09 120.06 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -50.51 -177.25 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLY . 9.9 mmtt -39.88 -59.6 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.22 161.03 29.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 119' ' ' ALA . 35.2 m -85.8 -10.1 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.475 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -97.44 19.85 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.0 p -126.6 139.02 53.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -145.86 145.57 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.08 149.69 10.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.452 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 16.3 p90 -145.58 143.67 30.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.403 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 14.5 mt -89.22 127.17 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.471 ' SD ' ' CG2' ' A' ' 103' ' ' THR . 1.6 ppp? -110.97 165.94 11.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -121.78 102.48 8.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.471 ' CG2' ' SD ' ' A' ' 101' ' ' MET . 74.6 p -69.27 -53.52 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -177.18 -85.94 0.06 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -56.43 -164.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -78.74 52.45 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.25 140.46 51.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.403 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 38.0 m-85 -136.03 134.58 38.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.464 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 27.7 mt-10 -115.71 127.56 55.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.0 103.39 12.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.544 ' CE1' HG21 ' A' ' 78' ' ' VAL . 39.9 m-70 -83.91 110.18 18.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.616 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG1' HG12 ' A' ' 41' ' ' ILE . 98.6 t -89.22 142.98 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.531 ' CZ ' HG23 ' A' ' 67' ' ' VAL . 79.7 m-85 -146.66 161.93 39.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.475 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 5.2 t-105 -115.73 114.06 24.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.2 m -109.79 148.31 31.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 108.309 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.2 mt-10 -131.2 145.22 56.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.01 -37.28 2.29 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.009 0.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -126.84 154.65 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -87.81 43.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.08 -41.17 11.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.48 -38.44 49.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.79 -63.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 t -49.13 -36.28 18.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.59 -58.49 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.16 -29.55 2.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.469 HG13 ' CE ' ' A' ' 88' ' ' MET . 76.4 t -81.67 -47.23 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -60.22 -58.17 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.98 -27.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.32 -48.86 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.35 -56.99 8.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 108.275 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 t -44.59 -62.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.91 123.71 0.78 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 70.33 5.37 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.16 163.57 32.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.5 m -73.59 159.97 32.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.5 123.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.41 -59.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.64 172.1 30.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -103.41 160.36 14.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.39 166.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.944 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.67 149.12 21.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.22 2.76 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.6 p -129.51 157.59 75.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 152.02 40.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 12' ' ' THR . 21.1 mttt -166.28 175.74 8.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 11' ' ' LYS . 71.5 p 39.84 -160.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.89 134.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -64.93 132.27 48.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.462 ' CG2' ' HB3' ' A' ' 61' ' ' ALA . 72.4 t -134.11 151.45 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.62 110.5 13.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -105.08 124.45 49.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -123.92 115.3 21.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 99.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 m -125.59 157.06 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 50.7 mt-30 -88.42 144.46 26.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -95.34 101.45 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 0.7 OUTLIER -65.04 -48.52 73.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.75 176.53 22.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.132 . . . . 0.0 111.036 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.403 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 24.9 ttp -110.62 110.17 20.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.1 tt -110.52 127.39 27.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.6 36.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -139.79 141.49 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.36 -45.24 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.38 115.08 46.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -4.24 15.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.8 m -149.97 145.5 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.59 141.73 4.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 mtp -82.61 -40.51 20.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -48.48 -65.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -51.8 -46.06 64.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 tp -49.97 -65.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -52.95 -52.25 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -44.52 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.01 79.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.9 mt -54.84 -63.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -46.88 -37.09 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -64.74 -55.84 17.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.7 mt -60.64 -38.57 85.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -54.66 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 p -70.15 -43.64 70.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 110.401 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.1 m -39.17 -85.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.0 m -95.01 155.09 16.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.449 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 17.4 m -71.81 174.11 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.05 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 2.1 tttt -66.69 -53.73 30.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.57 -34.99 79.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.12 -24.79 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.57 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 8.4 m0 -74.37 124.07 89.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.17 24.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.97 102.39 4.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.474 HG22 ' CG1' ' A' ' 67' ' ' VAL . 11.7 m -112.2 173.45 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.424 ' ND2' ' HA ' ' A' ' 70' ' ' GLU . 69.9 m-20 -117.13 143.54 45.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 tpp -106.01 103.88 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -80.9 135.3 35.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.5 t -135.01 103.49 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -157.86 163.74 37.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t0 41.17 41.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.466 ' CB ' HG23 ' A' ' 82' ' ' VAL . . . 49.36 53.41 12.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 53.3 m -142.8 153.44 43.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.393 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -123.08 100.01 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.2 m -113.59 126.4 55.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.478 HG23 ' CZ ' ' A' ' 113' ' ' PHE . 60.2 t -88.07 101.87 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.9 mt -96.23 149.22 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.7 t -71.4 165.79 23.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.424 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 13.8 tt0 -82.41 -49.3 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -87.72 47.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.19 168.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -128.46 -48.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.86 -15.64 62.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -78.25 108.81 11.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.1 94.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 56' ' ' VAL . 11.9 mt -50.84 -49.55 58.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.9 t -138.0 147.93 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -128.91 104.83 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.505 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 62.9 m -119.95 144.27 47.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 18.6 mtt-85 -120.42 145.2 47.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.466 HG23 ' CB ' ' A' ' 63' ' ' ALA . 5.2 m -63.64 -25.13 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.608 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -73.9 -14.88 61.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.608 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 2.3 m-85 -111.02 -3.7 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.447 HD22 ' CE ' ' A' ' 88' ' ' MET . 0.2 OUTLIER -72.22 144.05 48.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.2 m -114.08 -30.72 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 88' ' ' MET . 30.0 t80 -178.2 168.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.555 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -165.47 -149.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.67 158.42 9.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.1 t -77.99 138.03 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -76.13 -167.48 24.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -41.45 -68.83 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.802 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.3 OUTLIER -74.23 150.94 40.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 119' ' ' ALA . 33.3 m -80.23 -1.78 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 1.4 m80 -101.16 22.18 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.57 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 19.4 p -134.3 137.85 44.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -140.01 118.73 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -130.13 140.42 50.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 7.1 p90 -135.75 138.39 42.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.416 ' N ' ' O ' ' A' ' 87' ' ' PHE . 39.1 mt -88.09 127.42 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.505 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 23.0 ptm -110.66 156.35 21.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -122.99 101.84 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -69.41 -42.7 74.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 164.87 -76.18 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.05 -169.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.28 52.56 1.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.42 140.27 51.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -138.75 119.3 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 4.4 mt-10 -105.22 131.94 52.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 9.0 t -109.26 104.29 13.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.266 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 79.6 m-70 -84.12 111.78 19.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 92.5 t -90.86 143.88 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.6 m-85 -146.81 165.17 30.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 23.4 t-105 -117.4 115.15 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 107.967 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.1 m -114.16 140.32 48.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.1 mp0 -126.55 149.25 67.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.5 Cg_endo -74.89 -22.63 13.61 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.067 -0.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -137.48 157.59 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.421 ' O ' ' CB ' ' A' ' 123' ' ' SER . . . -91.78 35.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -85.85 -51.5 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.55 -48.34 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 9.2 t -61.85 -60.5 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 34.3 t -54.17 -26.4 27.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 2.9 mm-40 -80.47 -39.07 28.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.15 -12.74 61.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.414 ' CG1' ' HE3' ' A' ' 88' ' ' MET . 83.0 t -93.79 -56.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 18.2 pt20 -55.22 -48.55 73.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.483 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -67.07 -10.38 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.01 -50.22 7.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.452 ' HA ' ' CG2' ' A' ' 82' ' ' VAL . 7.8 t -62.93 -53.11 59.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -62.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -45.08 154.44 0.46 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.115 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 81.6 p -157.76 124.43 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.57 82.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 m 66.83 138.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -102.42 154.19 19.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.51 132.89 18.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.17 -57.65 2.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.764 . . . . 0.0 109.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 179.8 155.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.37 164.0 25.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 109.13 2.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 p -121.03 91.79 48.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 104.8 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.483 1.781 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -176.26 69.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.236 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 t -145.39 23.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.16 169.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.39 148.3 5.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 ' CG2' ' HB3' ' A' ' 61' ' ' ALA . 75.5 t -128.93 153.6 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -124.5 109.77 13.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -105.31 123.9 48.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -123.98 118.11 26.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.9 107.83 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.82 157.36 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 67.0 mt-30 -88.39 149.9 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -100.67 101.92 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.562 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 1.3 mp -66.72 -41.94 87.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 134.1 162.53 10.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.047 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -88.53 133.5 34.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 tt -131.5 127.54 21.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 151.12 39.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.449 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 26.7 m -138.17 169.21 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.44 -55.51 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -89.74 134.6 31.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -7.76 19.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 m -136.39 -179.7 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.11 140.32 11.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' LEU . 99.6 mmm -78.94 -45.91 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -40.97 -57.3 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.449 ' CG2' ' HB ' ' A' ' 28' ' ' VAL . 8.5 m -63.47 -33.29 75.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 34' ' ' MET . 3.3 tp -61.79 -71.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -51.45 -52.45 46.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -41.86 -49.72 4.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.036 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.23 -58.36 8.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.8 mt -51.11 -65.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.58 -36.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -61.88 -65.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.4 mt -49.67 -39.54 36.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -61.01 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.8 t -80.68 64.88 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.44 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -171.35 -60.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -102.02 147.74 26.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 m -73.55 162.32 29.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 4.4 tttt -64.68 -52.0 59.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.56 -30.62 71.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.86 -19.3 11.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.562 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.4 m0 -82.65 126.05 74.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 108.014 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 137.4 21.46 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.57 102.57 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.438 HG22 ' CG1' ' A' ' 67' ' ' VAL . 4.8 m -111.61 175.58 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -121.16 143.26 49.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 tpp -105.35 104.39 14.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -82.42 135.02 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.3 t -133.09 111.3 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.469 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -167.74 169.5 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 t0 39.84 34.48 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.469 ' CB ' HG21 ' A' ' 82' ' ' VAL . . . 53.61 55.67 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 80' ' ' CYS . 37.6 m -148.25 154.66 40.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.464 ' CG2' HG11 ' A' ' 126' ' ' VAL . 3.0 t -119.46 99.89 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.467 ' CG2' HG22 ' A' ' 76' ' ' VAL . 43.3 m -111.74 120.28 41.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.453 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 77.3 t -85.54 101.58 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.2 mt -94.73 151.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -65.27 168.22 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -87.87 -48.25 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -90.03 50.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.16 146.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -123.47 70.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' VAL . 2.7 pt-20 178.11 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 7.8 tt0 -67.1 68.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 66' ' ' THR . 0.9 OUTLIER -56.03 109.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mt -71.66 -48.29 48.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.515 HG11 ' CE1' ' A' ' 111' ' ' HIS . 9.5 t -142.27 141.85 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.4 ' N ' HG13 ' A' ' 78' ' ' VAL . 4.4 tt0 -123.68 114.99 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.47 ' O ' ' CG2' ' A' ' 64' ' ' THR . 10.8 t -119.39 148.05 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.301 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -121.26 132.43 54.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 63' ' ' ALA . 4.4 m -57.89 -20.67 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -27.78 42.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -97.34 -23.63 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -47.57 161.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.7 -43.31 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.601 ' CE2' ' O ' ' A' ' 88' ' ' MET . 65.1 t80 -176.57 174.14 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.601 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 22.9 ptp -168.92 -159.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.406 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 150.15 155.54 6.88 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 t -82.66 118.43 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -49.66 178.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' GLY . 28.4 mttt -40.37 -52.01 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.406 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.5 OUTLIER -82.96 159.16 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 24.9 m -84.27 -11.83 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.1 OUTLIER -94.38 15.42 17.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.607 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 11.8 p -124.03 143.94 50.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.474 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 59.0 t80 -154.1 145.78 23.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -164.13 151.2 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.448 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 16.4 p90 -145.67 144.7 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.0 mt -88.53 126.37 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 27.1 ptm -131.53 163.08 28.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -102.03 143.16 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.8 p -139.4 17.6 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.415 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -178.58 -145.15 5.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -101.43 122.12 43.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 54.76 18.38 2.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.48 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 10.8 mmt180 -104.26 143.01 33.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 107' ' ' ARG . 15.1 m-85 -139.16 134.13 32.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -124.01 137.54 54.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.7 t -111.86 118.81 36.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 108.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 79.5 m-70 -99.13 110.42 23.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 71.3 t -87.09 142.42 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 90.9 m-85 -146.78 167.48 23.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -125.91 115.31 19.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.998 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 2.8 m -108.78 159.33 16.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 108.339 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.508 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mt-10 -143.92 146.56 34.82 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -13.09 23.76 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.998 -0.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -150.39 155.47 39.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.29 26.05 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.95 -60.5 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -67.33 -41.46 85.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 25.0 t -58.13 -32.54 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 17.7 t -87.38 -35.39 18.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 3.2 pt-20 -69.77 -47.01 64.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -57.01 -36.26 70.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.469 HG12 ' CE ' ' A' ' 88' ' ' MET . 76.6 t -75.55 -48.24 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 130' ' ' CYS . 5.4 mm-40 -59.76 -53.57 56.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.64 -33.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.454 ' HB1' ' CG1' ' A' ' 82' ' ' VAL . . . -76.01 -49.59 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 127' ' ' GLN . 36.2 t -53.52 -58.16 8.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.6 p 40.92 91.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.01 -82.31 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 59.04 5.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 53.2 p -87.41 -61.08 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.0 t -77.31 138.51 39.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.95 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 110.939 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.06 138.59 20.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 110.017 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -119.35 154.37 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.62 -163.94 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -111.73 108.99 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -46.88 136.15 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.6 171.19 34.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -84.82 150.73 56.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.56 8.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -130.56 56.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 p -114.7 138.35 50.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.373 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 59.2 153.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.03 154.15 42.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 ' CB ' ' A' ' 61' ' ' ALA . 69.0 t -128.29 144.43 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.43 ' N ' HG12 ' A' ' 15' ' ' VAL . 8.7 mt-30 -112.74 109.25 18.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -108.98 125.99 52.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.473 ' CD2' HG21 ' A' ' 122' ' ' VAL . 69.2 m-85 -128.81 118.65 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 102.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 m -124.21 156.35 31.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 49.1 mt-30 -90.13 146.66 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.4 112.91 25.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD23 ' CZ2' ' A' ' 53' ' ' TRP . 2.3 mp -77.94 -43.83 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.477 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 137.05 160.14 8.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 25' ' ' MET . 13.9 tmm? -87.99 131.83 34.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 tt -127.64 127.64 24.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.21 34.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.58 171.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.56 -60.7 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.28 133.86 77.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -12.08 21.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.428 ' CG1' ' HB2' ' A' ' 87' ' ' PHE . 15.9 m -137.4 -171.4 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.37 156.8 27.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -98.71 -45.92 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.6 -59.7 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 m -54.99 -42.65 72.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.0 tp -52.98 -68.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 37.2 m-80 -52.71 -45.51 66.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -46.38 -41.89 14.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.48 -59.12 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.4 mt -47.08 -57.3 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -44.99 -44.2 9.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -59.29 -59.18 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.477 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 12.8 mt -54.36 -43.79 71.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -60.48 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 5.6 t -78.09 60.61 2.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.65 -67.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.968 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.8 m -100.26 153.82 18.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.44 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 5.7 m -73.51 173.44 9.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 18.0 tttm -73.82 -51.11 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.04 -36.4 83.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -48.98 -24.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.1 m0 -75.94 125.23 88.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.15 19.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 102.3 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.473 HG23 ' CG1' ' A' ' 67' ' ' VAL . 13.0 m -111.48 167.3 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -111.71 138.79 47.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.0 tpp -101.55 103.73 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 24.0 t-20 -80.71 137.81 36.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.402 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 73.3 t -135.48 114.29 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.478 ' CB ' HG22 ' A' ' 15' ' ' VAL . . . -172.46 169.97 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t0 40.14 37.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.459 ' CB ' HG21 ' A' ' 82' ' ' VAL . . . 50.42 51.42 16.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.429 ' N ' ' O ' ' A' ' 61' ' ' ALA . 51.8 m -145.46 154.25 42.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.6 t -121.37 102.54 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.8 m -111.18 129.63 55.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' ' 56' ' ' VAL . 60.7 t -92.45 104.58 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.8 mt -100.13 153.31 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -68.17 173.27 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -79.86 -42.38 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -87.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -50.99 149.99 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -109.18 -18.65 13.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -92.4 -17.4 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.79 105.12 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -103.58 98.54 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.05 -52.14 66.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.34 148.62 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -134.34 96.82 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.4 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 0.1 OUTLIER -104.87 150.41 24.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 108.286 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.419 ' CG ' HG22 ' A' ' 64' ' ' THR . 63.2 mtt-85 -122.58 133.85 54.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.459 HG21 ' CB ' ' A' ' 63' ' ' ALA . 4.4 m -59.44 -16.24 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -21.12 34.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -9.88 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -63.23 165.88 6.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.61 -43.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.593 ' CE2' ' O ' ' A' ' 88' ' ' MET . 56.9 t80 -173.48 172.82 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.593 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 16.8 ptp -169.9 -159.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 145.24 165.25 11.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.2 t -85.34 124.36 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.17 -175.08 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 70.7 mttt -43.6 -51.73 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.82 161.52 23.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 119' ' ' ALA . 22.8 m -85.2 -12.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.557 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -97.2 20.46 11.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.9 p -126.03 135.9 52.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.413 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 54.7 t80 -145.69 134.12 21.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.04 156.1 39.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 7.2 p90 -148.22 149.22 31.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.1 mt -92.45 126.8 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.4 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 24.8 ptm -115.74 165.04 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.23 121.14 34.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.8 p -107.45 -2.05 20.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.88 158.74 10.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 61.46 -175.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -81.47 49.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.78 142.0 51.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -138.31 133.39 32.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -106.1 137.11 44.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 51.0 t -115.08 110.2 19.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.495 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 60.7 m-70 -91.38 119.09 31.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.464 HG11 ' CD1' ' A' ' 23' ' ' LEU . 74.2 t -95.84 143.41 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.495 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 84.2 m-85 -146.67 167.79 22.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.557 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 17.8 t-105 -122.38 116.68 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 5.3 m -112.74 139.22 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.333 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mp0 -124.02 143.16 41.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -42.24 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.002 -0.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -120.33 157.29 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -89.59 38.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -83.78 -56.16 3.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -58.62 -50.0 75.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.473 HG21 ' CD2' ' A' ' 18' ' ' PHE . 34.8 t -58.61 -69.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 23.0 t -45.99 -25.23 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 7.4 mm-40 -81.37 -43.59 18.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -67.3 -12.53 60.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.417 HG13 ' CE ' ' A' ' 88' ' ' MET . 63.5 t -96.07 -54.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.505 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 15.8 pt20 -54.97 -48.91 72.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -65.78 -12.38 53.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.44 -26.16 24.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 40.7 t -80.71 -50.65 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 108.272 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -51.07 63.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.87 -157.33 15.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 150.57 38.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.537 1.809 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.2 t 60.0 89.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 90.2 p -127.85 145.31 50.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -147.19 97.37 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.94 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.81 -56.47 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.32 135.13 5.5 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -156.9 131.96 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 109.975 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -111.05 149.42 30.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.19 70.81 0.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.16 4.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -139.76 145.5 43.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.38 31.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.24 139.11 39.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.1 m -155.52 65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.51 122.14 8.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 129.14 40.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.173 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.556 ' HB ' ' CB ' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -114.65 163.24 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 8.1 mt-30 -127.73 113.76 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -93.98 120.77 34.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 95.9 m-85 -119.58 127.83 53.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.08 102.32 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' VAL . 29.5 m -124.74 163.73 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 36.6 mt-30 -91.94 145.24 24.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -96.08 100.99 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.556 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 1.1 mp -63.12 -48.45 78.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 147.27 162.1 9.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.535 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 18.6 ttp -94.58 115.85 28.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 0.738 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tt -116.61 127.32 26.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 157.0 42.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.9 m -138.4 -176.89 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.72 -59.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -82.08 136.57 46.89 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -19.21 17.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.972 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 m -130.3 166.46 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.91 139.29 6.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -44.57 13.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.85 -62.64 1.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -52.08 -42.56 63.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.37 -64.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -49.5 -57.01 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.3 -48.69 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.55 -58.55 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -48.37 -69.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -40.39 -40.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -53.92 -61.16 2.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.5 mt -52.49 -60.26 3.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -39.37 -64.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' A' ' 46' ' ' THR . 14.6 t -73.26 58.95 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.89 -64.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.967 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.98 153.36 17.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 19.9 m -73.22 171.94 12.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 5.9 tttt -76.16 -53.55 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.58 -31.82 72.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.29 -22.13 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.556 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 8.3 m0 -78.37 123.4 85.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.07 22.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.564 1.823 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.54 101.89 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' VAL . 16.1 m -110.5 169.15 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 60.1 m-20 -116.51 141.36 48.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.1 tpp -105.2 102.05 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 20.0 t-20 -86.1 124.99 33.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.1 t -118.86 95.23 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.556 ' CB ' ' HB ' ' A' ' 15' ' ' VAL . . . -142.14 166.67 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' ALA . 2.3 t70 37.82 44.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' O ' ' CG2' ' A' ' 82' ' ' VAL . . . 45.97 52.1 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.461 ' N ' ' O ' ' A' ' 61' ' ' ALA . 34.7 m -144.96 154.98 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.423 ' CG2' HG13 ' A' ' 126' ' ' VAL . 4.0 t -118.08 103.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.461 ' CG2' HG21 ' A' ' 76' ' ' VAL . 39.6 m -113.76 117.51 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.5 t -84.55 107.97 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mt -102.63 152.64 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 t -65.87 169.96 5.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.79 -33.5 58.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -88.18 -93.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.89 151.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.85 -13.52 14.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -98.27 -20.44 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.33 101.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.461 HG21 ' CG2' ' A' ' 66' ' ' THR . 0.2 OUTLIER -99.47 93.56 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mt -52.59 -49.58 64.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.6 t -137.02 146.42 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -130.11 94.91 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.41 ' O ' ' N ' ' A' ' 65' ' ' VAL . 68.9 m -103.61 149.91 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.261 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.457 ' CG ' HG22 ' A' ' 64' ' ' THR . 4.6 mtt180 -124.48 135.81 53.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 63' ' ' ALA . 6.4 m -61.15 -16.89 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -17.86 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -111.81 -2.68 15.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.434 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -67.05 162.21 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.7 m -126.58 -42.32 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 88' ' ' MET . 42.0 t80 -175.23 172.46 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.53 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 18.2 ptp -171.33 -161.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.426 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.19 -170.49 28.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.3 t -122.62 114.26 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.53 -162.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -40.91 -88.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -50.82 144.66 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.412 HG21 ' CE1' ' A' ' 95' ' ' HIS . 29.3 m -83.59 3.92 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.2 m80 -103.37 19.25 20.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.6 p -126.7 136.74 52.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.411 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 50.3 t80 -143.52 130.5 20.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -149.01 148.91 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.434 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 39.9 p90 -142.24 143.37 32.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.4 mt -89.21 117.69 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.417 ' SD ' ' NE2' ' A' ' 111' ' ' HIS . 26.8 ptm -107.86 165.3 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -114.88 130.66 56.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.5 p -118.76 -55.55 2.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -123.9 -152.87 8.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -81.36 128.14 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 49.0 22.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.41 131.13 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -140.03 152.1 45.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -137.91 121.5 17.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 47.5 t -95.71 108.19 20.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 108.275 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 68.3 m-70 -89.1 103.83 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 113' ' ' PHE . 93.4 t -81.81 141.76 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.0 m-85 -145.94 167.2 23.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -119.69 112.72 19.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.981 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 4.1 m -106.38 144.74 32.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.3 mp0 -132.19 147.37 65.52 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.3 Cg_endo -75.05 -12.93 24.01 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.024 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 118' ' ' ASN . 0.0 OUTLIER -150.96 157.68 43.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.411 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -88.94 41.69 1.04 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.91 -44.66 9.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -76.4 -43.28 41.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.5 t -59.87 -62.11 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.6 t -50.07 -40.08 44.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.28 -56.1 11.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.85 -37.99 15.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.452 HG11 ' CE ' ' A' ' 88' ' ' MET . 88.0 t -72.74 -48.12 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -58.01 -51.96 67.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.55 -27.31 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.24 -49.4 19.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 18.4 t -60.47 -60.36 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 108.326 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.7 -50.83 42.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.37 153.58 24.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 118.85 5.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 m 62.24 115.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m 56.12 -94.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -154.76 141.97 19.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.15 -54.79 2.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.46 -145.45 44.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.53 -62.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.028 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.16 139.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.4 88.58 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -64.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.0 p 44.87 88.86 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.46 15.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp 62.73 130.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 t -113.49 -14.94 12.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -164.77 47.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.78 -171.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.413 HG11 ' N ' ' A' ' 16' ' ' GLN . 92.3 t -133.61 140.8 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' N ' HG11 ' A' ' 15' ' ' VAL . 8.2 mt-30 -112.81 109.4 18.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -109.57 122.3 47.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -122.52 117.23 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -65.17 106.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 m -131.59 159.39 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.1 mt-30 -88.76 143.77 26.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -96.03 107.48 19.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD23 ' CZ2' ' A' ' 53' ' ' TRP . 0.9 OUTLIER -71.84 -43.38 65.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 142.21 155.95 6.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 12.5 ttp -93.07 108.49 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.28 139.31 21.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 166.17 29.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.7 m -150.78 129.62 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -50.36 68.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.47 120.76 71.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.502 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 18.2 Cg_endo -74.96 -9.62 20.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.83 139.8 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.47 139.53 3.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -44.89 20.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 111.062 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.99 -59.94 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 m -56.34 -44.61 80.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.54 -60.66 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -58.41 -48.21 81.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -43.78 -43.97 6.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.09 -52.35 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 68.3 mt -55.29 -62.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -42.98 -42.42 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -56.26 -60.05 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 14.9 mt -54.79 -49.32 71.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -63.93 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.0 p -76.49 62.0 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -163.92 -68.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 m -100.65 151.93 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m -71.47 167.61 19.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 23.2 tttm -69.41 -49.06 58.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.95 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.38 -25.29 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CZ2' HD23 ' A' ' 23' ' ' LEU . 9.5 m0 -72.99 122.87 88.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 138.55 23.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.03 102.62 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 HG23 ' CG1' ' A' ' 67' ' ' VAL . 10.6 m -112.56 179.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -123.37 150.73 43.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.8 ttm -112.12 104.65 12.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -80.7 136.25 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.5 t -135.94 105.51 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' CB ' HG23 ' A' ' 15' ' ' VAL . . . -161.56 167.84 24.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 9.6 t0 40.26 34.42 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 55.18 55.28 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.404 ' N ' ' O ' ' A' ' 61' ' ' ALA . 17.6 m -145.19 156.23 43.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' CYS . 2.8 t -123.93 99.75 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.1 m -113.75 129.4 56.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.471 ' CG1' HG23 ' A' ' 56' ' ' VAL . 57.7 t -90.11 103.31 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.3 mt -98.23 148.18 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.4 t -61.03 170.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -77.98 -41.72 35.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -89.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -45.89 155.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.38 -16.32 12.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.73 -26.3 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.79 110.07 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -108.32 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mt -53.09 -55.51 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.518 HG12 ' CE1' ' A' ' 111' ' ' HIS . 3.4 t -126.95 148.36 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -129.14 97.17 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.435 ' O ' ' N ' ' A' ' 65' ' ' VAL . 99.1 m -115.84 150.29 37.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.426 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 70.2 mtt180 -121.94 -174.97 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 10.3 m -97.26 -33.77 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -67.11 -16.14 64.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 102' ' ' ASP . 18.7 m-85 -106.99 -9.39 16.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.432 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -68.87 142.48 54.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.41 -32.26 5.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 88' ' ' MET . 27.3 t80 -177.84 168.88 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.488 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -163.05 -150.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.7 159.24 10.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.2 t -80.11 138.46 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.93 -168.55 4.4 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -45.01 -62.37 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 0.803 . . . . 0.0 109.371 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.09 162.68 27.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.8 m -84.66 -10.02 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.409 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -96.95 15.64 21.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.8 p -123.81 136.68 54.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.44 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 55.3 t80 -145.45 147.27 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -163.95 144.91 8.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 30.6 p90 -136.36 139.93 42.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.8 mt -87.86 125.34 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.453 ' SD ' ' CG2' ' A' ' 103' ' ' THR . 2.4 ppp? -113.2 165.79 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 84' ' ' PHE . 1.5 t70 -108.11 102.45 11.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.453 ' CG2' ' SD ' ' A' ' 101' ' ' MET . 63.9 p -78.55 -47.1 17.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.54 158.04 7.41 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 106' ' ' GLN . 2.2 m120 63.16 60.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' ASN . 5.3 mt-30 37.22 41.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.8 134.11 50.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.502 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 26.2 m-85 -124.62 154.73 40.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.444 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 16.4 mm-40 -132.9 133.53 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 7.1 t -105.81 125.03 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 59.4 m-70 -103.44 102.36 12.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.13 142.2 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 80.8 m-85 -146.88 166.82 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.409 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 15.0 t-105 -120.67 113.19 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -110.74 142.24 42.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.283 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.8 mt-10 -127.26 143.38 46.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.99 -38.59 1.73 Allowed 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.993 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -125.56 150.75 47.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.44 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -88.24 44.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.59 -48.41 8.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.19 -47.33 84.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.8 -70.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 t -40.82 -36.05 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.06 -53.29 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.43 64.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.95 -52.53 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -62.15 -47.16 85.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.27 -24.16 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -82.79 -49.42 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 44.9 t -62.49 -61.32 2.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 108.337 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.7 83.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -112.23 -158.59 14.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 82.73 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.8 m -53.46 -56.33 17.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.2 t 59.88 96.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.18 102.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.96 154.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.93 148.68 7.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -155.45 -65.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.64 167.62 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.43 151.67 20.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.81 20.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.1 p -122.28 93.84 48.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.33 18.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 137.66 54.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -143.08 173.97 11.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.3 153.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 160.96 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG2' ' HB1' ' A' ' 61' ' ' ALA . 78.9 t -133.8 142.08 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.43 ' N ' HG13 ' A' ' 15' ' ' VAL . 4.6 mt-30 -118.35 109.47 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.65 129.79 53.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -131.3 121.04 24.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' NH1' ' OE2' ' A' ' 70' ' ' GLU . 3.6 ttt180 -68.74 107.4 3.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.3 m -132.41 158.97 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' LYS . 59.8 mt-30 -88.66 146.62 24.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -99.28 105.78 17.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.569 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 0.8 OUTLIER -71.66 -47.29 55.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.2 178.33 21.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.53 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 26.5 ttp -109.05 119.31 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.793 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 tt -117.59 127.95 26.33 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 153.67 41.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 m -144.36 153.73 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.65 -46.2 9.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.2 118.33 71.88 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -4.74 15.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.9 m -144.52 156.77 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.05 148.33 7.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -44.35 9.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 0.804 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -66.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -51.84 -46.44 64.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.43 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 tp -49.9 -53.48 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -67.35 -55.96 11.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.11 -40.47 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.98 -48.97 77.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.2 -62.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -40.81 -38.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.87 -63.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -54.75 -36.4 64.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -61.55 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -69.34 -15.81 63.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -65.51 -68.68 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -112.49 159.66 18.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 2.2 m -74.32 171.69 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.1 tttm -67.11 -50.75 60.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -67.71 -31.32 71.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -19.66 18.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.569 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.9 m0 -80.6 124.44 82.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.025 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.42 24.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.61 102.25 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 HG22 ' CG1' ' A' ' 67' ' ' VAL . 8.4 m -110.35 175.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -118.67 143.94 46.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.9 tpp -107.6 102.57 11.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -80.86 136.94 36.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.4 t -135.43 103.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -157.0 166.43 33.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ALA . 2.0 t0 40.28 36.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.471 ' CB ' HG21 ' A' ' 82' ' ' VAL . . . 53.15 55.75 8.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 80' ' ' CYS . 45.3 m -145.89 154.93 42.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.8 t -120.14 99.64 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.465 ' CG2' HG13 ' A' ' 76' ' ' VAL . 82.8 m -112.2 119.37 38.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 56' ' ' VAL . 58.2 t -85.44 100.6 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 69' ' ' SER . 6.4 mt -94.91 143.68 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 31.2 t -59.91 161.81 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' OE2' ' NH1' ' A' ' 19' ' ' ARG . 8.2 tt0 -74.38 -51.33 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -65.41 -85.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -60.78 151.18 30.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -110.46 -26.21 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.98 -9.08 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -81.71 138.33 35.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.465 HG13 ' CG2' ' A' ' 66' ' ' THR . 55.7 t -122.34 99.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.433 ' CD1' ' HA ' ' A' ' 69' ' ' SER . 6.7 mt -61.86 -52.08 65.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 7.2 t -145.52 144.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -124.28 112.84 17.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.47 ' O ' ' CG2' ' A' ' 64' ' ' THR . 3.6 t -119.89 149.57 41.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 108.285 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -124.55 133.57 53.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.471 HG21 ' CB ' ' A' ' 63' ' ' ALA . 7.3 m -58.07 -19.65 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.619 ' CZ ' ' CE2' ' A' ' 84' ' ' PHE . 1.9 ppt_? -79.91 -15.56 57.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.619 ' CE2' ' CZ ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -111.05 -3.5 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.81 148.24 42.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -114.74 -32.3 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.6 ' CE1' ' O ' ' A' ' 88' ' ' MET . 38.5 t80 -176.89 172.38 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.6 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -163.31 -149.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.51 155.16 8.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 91' ' ' GLY . 84.9 t -77.75 140.98 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.424 ' N ' HG12 ' A' ' 90' ' ' VAL . . . -71.31 -169.79 10.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -42.9 -62.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.85 162.25 27.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.0 m -84.7 -12.78 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.549 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -93.83 17.72 11.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.1 p -126.25 133.85 51.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.455 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 49.0 t80 -138.03 139.31 39.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -150.82 148.04 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.605 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 9.4 p90 -141.69 137.12 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.409 ' N ' ' O ' ' A' ' 87' ' ' PHE . 61.0 mt -88.1 125.16 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.419 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 24.1 ptm -117.21 152.06 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -107.02 105.3 15.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.1 p -83.53 -18.23 39.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 105' ' ' ASN . . . 113.05 159.75 13.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' GLN . 7.1 m-20 65.26 61.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' ASN . 4.5 mt-30 35.81 36.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -116.59 127.44 54.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -127.95 128.8 45.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -108.9 138.32 45.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 t -116.94 107.3 14.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 89.5 m-70 -89.76 121.94 32.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.418 HG12 ' CD1' ' A' ' 23' ' ' LEU . 87.1 t -98.46 139.81 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 89.3 m-85 -146.1 164.43 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.549 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 5.5 t-105 -124.31 119.3 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.2 m -115.22 151.74 33.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.3 mt-10 -129.86 142.56 45.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -50.07 0.2 Allowed 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.044 -0.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -113.43 149.26 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -88.52 42.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 124' ' ' GLU . . . -79.2 -56.51 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.32 -54.66 37.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.443 ' O ' ' CG2' ' A' ' 126' ' ' VAL . 55.1 t -51.17 -29.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.3 t -89.83 -28.43 19.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.526 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 2.8 pt-20 -76.92 -47.69 20.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.526 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -55.96 -35.33 66.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 122' ' ' VAL . 63.3 t -72.83 -52.79 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.413 ' C ' ' N ' ' A' ' 129' ' ' ALA . 4.3 mm-40 -55.71 -55.12 36.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.54 -27.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.413 ' N ' ' C ' ' A' ' 127' ' ' GLN . . . -86.25 -55.69 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.7 m -50.7 -43.94 57.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.3 t -60.85 -57.63 11.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 136.85 -160.57 24.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 179.19 6.3 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.524 1.802 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.47 130.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.7 m -80.33 121.38 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 p -131.11 130.07 42.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -169.47 122.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.92 111.17 0.47 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 p -149.08 143.17 25.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.79 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.44 150.64 24.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.45 174.72 33.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.87 4.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t -87.51 145.91 38.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 137.18 21.36 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.798 . . . . 0.0 110.968 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -79.05 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.5 p -126.64 90.54 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.411 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -116.34 150.48 37.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.07 149.3 24.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 77.2 t -125.57 148.78 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -123.5 109.96 14.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -105.86 127.35 53.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -130.23 115.61 17.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 55' ' ' SER . 1.6 ttt180 -65.1 99.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' VAL . 26.1 m -123.24 156.6 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.2 mt-30 -88.75 139.45 30.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -91.9 103.0 15.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.562 HD23 ' CZ2' ' A' ' 53' ' ' TRP . 1.1 mp -66.78 -47.96 70.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.62 179.33 25.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.568 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 11.3 ttp -112.52 116.74 30.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tt -118.26 127.47 26.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.25 33.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.8 m -136.56 146.14 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.06 -45.55 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 115.51 46.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.39 19.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.7 m -146.19 154.94 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.17 153.79 8.73 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mtp -97.44 -45.47 6.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 111.037 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.56 -66.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -53.35 -48.45 68.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -44.98 -49.78 11.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -65.7 -56.38 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.6 t -41.84 -44.81 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.59 75.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.37 -62.19 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -39.48 -32.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -70.86 -66.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.5 mt -52.27 -25.49 9.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -45.33 86.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.3 p -85.31 -24.51 27.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -56.79 -66.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -113.51 158.91 20.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.452 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 11.2 m -73.65 175.25 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.574 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 10.6 tttm -67.64 -52.92 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.37 -41.33 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -45.11 -26.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.574 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -73.46 122.06 86.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.003 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 132.14 15.12 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -67.25 102.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 20' ' ' VAL . 11.4 m -113.66 171.44 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -115.1 147.68 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.9 ttm -109.82 101.03 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 18.8 t-20 -81.14 131.4 35.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.4 t -135.24 106.39 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 63' ' ' ALA . . . -138.58 147.41 42.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.99 -73.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.528 ' O ' ' CG2' ' A' ' 82' ' ' VAL . . . -179.31 35.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.472 ' CG2' ' O ' ' A' ' 80' ' ' CYS . 25.9 m -128.92 155.12 45.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.423 ' N ' HG21 ' A' ' 64' ' ' THR . 4.3 t -119.32 101.47 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 27.7 m -108.25 119.22 38.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' LEU . 56.2 t -84.4 105.92 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.445 ' CG2' ' O ' ' A' ' 73' ' ' GLU . 36.6 mt -98.72 156.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -82.81 170.08 15.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -84.61 -37.88 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -73.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -107.45 -176.7 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.445 ' O ' ' CG2' ' A' ' 68' ' ' ILE . 43.8 mm-40 -109.71 -49.34 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.62 -19.34 25.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.33 71.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.528 ' CG2' ' CG2' ' A' ' 66' ' ' THR . 2.2 p -72.21 104.36 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' VAL . 5.3 mt -61.8 -53.35 57.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.417 ' O ' ' N ' ' A' ' 67' ' ' VAL . 5.1 t -138.85 153.74 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -134.16 107.11 7.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.518 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 2.4 t -112.04 145.96 38.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.465 ' CG ' HG22 ' A' ' 64' ' ' THR . 2.4 mtp180 -123.49 136.9 54.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 63' ' ' ALA . 16.0 m -59.87 -22.93 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 84' ' ' PHE . 0.5 OUTLIER -77.72 -24.98 48.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.418 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -103.46 3.3 34.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.402 ' CD2' ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -81.97 151.77 27.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 m -115.8 -34.54 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 88' ' ' MET . 39.2 t80 -178.26 172.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.605 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -162.43 -149.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.49 153.0 8.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 69.5 t -78.12 147.22 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.36 -165.55 36.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -40.41 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.53 160.65 28.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.461 ' O ' ' N ' ' A' ' 119' ' ' ALA . 32.7 m -83.67 -9.76 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 1.5 m80 -89.07 11.22 19.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 p -125.02 135.27 52.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -139.01 143.72 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.97 151.48 27.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.608 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 7.1 p90 -145.38 139.87 27.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' ' 87' ' ' PHE . 43.4 mt -88.07 128.58 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.45 ' SD ' ' CD2' ' A' ' 111' ' ' HIS . 27.3 ptm -128.58 165.09 21.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -111.96 124.02 51.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.8 p -114.52 -52.36 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.77 -147.38 9.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -79.8 -67.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.746 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -115.95 14.52 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -89.24 154.91 19.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -139.66 141.67 37.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.414 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 25.2 mm-40 -121.59 145.9 47.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.6 t -121.83 113.06 19.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.298 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.578 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 67.4 m-70 -92.28 110.28 21.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.473 HG13 ' CD1' ' A' ' 23' ' ' LEU . 88.5 t -86.48 141.55 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.578 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 93.9 m-85 -146.98 167.3 24.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.506 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 10.7 t-105 -123.06 119.8 31.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.2 m -115.61 148.01 40.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.335 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.507 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.3 mt-10 -132.32 145.43 57.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.0 Cg_endo -75.05 -33.82 3.81 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.974 0.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 118' ' ' ASN . 0.0 OUTLIER -128.82 153.39 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -90.38 40.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -90.33 -29.67 17.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -84.63 -34.1 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.242 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.35 -62.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 t -49.88 -37.58 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 9.1 mm-40 -64.3 -59.24 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.68 -30.48 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 97.1 t -82.35 -52.25 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -56.91 -54.04 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.68 -32.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.9 -59.7 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 38.9 t -43.76 -46.23 7.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.287 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -60.01 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 148.49 -91.62 0.14 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.3 42.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.89 -29.76 10.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.021 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.82 94.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -164.11 138.24 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -147.15 170.62 16.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.64 172.94 18.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -131.69 161.12 33.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -133.16 167.65 19.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.37 -178.16 15.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.8 3.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.9 p -118.47 89.64 37.05 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.73 38.33 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.13 128.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -151.92 155.72 38.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -134.89 163.17 30.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -57.41 138.85 54.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.432 ' CG2' ' HB3' ' A' ' 61' ' ' ALA . 80.7 t -130.82 151.96 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -125.43 110.6 14.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -102.4 131.75 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -130.39 113.98 15.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -65.63 108.68 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.7 m -134.34 154.95 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 50' ' ' LYS . 59.7 mt-30 -88.44 143.43 26.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -94.11 106.16 18.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.526 ' HG ' ' CD2' ' A' ' 53' ' ' TRP . 0.4 OUTLIER -73.84 -44.71 54.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.42 162.4 9.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -90.01 131.87 35.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tt -130.05 127.53 22.69 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.52 38.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.87 147.11 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.01 -50.51 14.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 115.38 55.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.79 19.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.449 1.763 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.2 m -138.88 147.96 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.75 165.09 11.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.32 -40.34 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.58 -64.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -52.57 -48.44 66.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 tp -45.75 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 58.4 m-80 -48.79 -53.38 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.54 -53.87 4.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.29 -54.19 39.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.87 -56.5 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.39 -49.24 61.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -54.33 -48.91 70.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' MET . 13.3 mt -64.71 -50.86 65.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -36.75 -65.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.6 p -38.4 -63.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -67.22 145.33 55.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 47' ' ' SER . 63.5 m 61.69 129.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 19.3 m -77.52 177.06 8.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -62.28 -48.47 79.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -65.79 -38.74 89.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.17 -23.12 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.526 ' CD2' ' HG ' ' A' ' 23' ' ' LEU . 15.3 m0 -81.05 123.85 81.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 130.05 12.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.39 102.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG22 ' CG1' ' A' ' 67' ' ' VAL . 5.8 m -111.11 176.68 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -120.91 151.65 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.6 ttm -113.65 105.67 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -82.89 137.35 34.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.4 t -135.34 109.41 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.432 ' HB3' ' CG2' ' A' ' 15' ' ' VAL . . . -163.98 168.57 19.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' ALA . 4.8 t0 39.83 36.53 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 53.25 55.09 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 61' ' ' ALA . 2.6 m -145.2 160.54 41.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.471 ' CG2' HG12 ' A' ' 126' ' ' VAL . 3.6 t -129.13 99.67 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 m -114.06 125.9 54.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 56' ' ' VAL . 59.9 t -86.56 105.64 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 69' ' ' SER . 7.4 mt -96.87 144.06 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.414 ' N ' HG21 ' A' ' 68' ' ' ILE . 4.2 t -60.3 170.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -92.51 -47.54 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.3 50.27 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 167.13 98.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.73 56.61 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.32 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.85 116.56 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.0 t -95.39 103.33 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 mt -65.55 -60.53 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.42 HG23 ' CE1' ' A' ' 111' ' ' HIS . 2.7 t -126.16 143.99 37.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -119.61 97.27 5.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' VAL . 72.4 m -115.84 150.47 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.569 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 72.8 mtt-85 -123.88 -174.59 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.4 m -99.08 -31.34 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -71.48 -16.97 62.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 20.2 m-85 -107.45 -3.69 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -74.54 147.55 41.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -114.27 -38.57 4.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 88' ' ' MET . 38.6 t80 -178.17 171.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.529 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 10.2 ptp -170.58 -157.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.21 -175.13 26.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 77.0 t -103.71 119.73 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -49.52 178.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.434 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 2.7 mttm -40.43 -51.43 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -81.98 161.91 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 119' ' ' ALA . 32.6 m -83.95 -8.68 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.449 ' CE1' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -102.7 25.53 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.634 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 p -130.88 127.54 38.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -137.49 127.42 25.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -143.87 151.69 40.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 8.2 p90 -145.37 145.19 31.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.4 mt -90.8 125.59 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 19.0 ptm -110.54 164.02 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -124.33 107.69 11.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.4 p -86.86 -56.7 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -179.6 146.66 7.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 105' ' ' ASN . 0.8 OUTLIER 72.08 -168.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -82.11 50.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.71 142.55 50.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -138.92 128.85 25.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -104.03 133.84 48.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.4 t -112.51 110.94 21.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 51.2 m-70 -92.37 117.45 29.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 78.7 t -95.23 143.93 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.5 m-85 -146.85 165.21 30.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.402 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 8.0 t-105 -117.88 112.69 20.69 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.3 m -105.7 146.29 29.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.9 mt-10 -132.06 142.73 46.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.517 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -74.98 -44.51 0.55 Allowed 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.044 -0.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -116.74 157.07 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.369 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -90.59 38.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -88.72 -40.68 13.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -73.15 -40.87 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.6 t -64.36 -65.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 5.8 t -46.72 -39.6 11.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.08 -58.6 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.359 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.01 -32.84 48.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.471 HG12 ' CG2' ' A' ' 65' ' ' VAL . 79.4 t -77.9 -47.86 24.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 123' ' ' SER . 6.8 mm-40 -58.93 -54.13 50.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.01 -24.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -72.18 -50.15 30.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 37.5 t -68.67 -64.77 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.19 85.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -124.59 -130.72 3.57 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -37.71 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 97.2 p -69.16 122.9 19.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.965 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.75 151.31 30.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -147.39 -58.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 0.822 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 61.79 153.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.48 -70.43 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.64 168.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.83 151.57 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.051 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.14 93.93 0.53 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 98.84 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 97.6 m -79.75 141.44 55.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -74.94 -170.24 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 175.19 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.8 p -99.46 75.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.72 162.1 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.25 137.28 48.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG21 ' CB ' ' A' ' 61' ' ' ALA . 94.7 t -127.42 152.35 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 18.8 mt-30 -123.04 110.03 14.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -103.01 125.58 49.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 79.9 m-85 -125.5 112.98 16.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.3 100.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' VAL . 17.4 m -125.45 158.22 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.57 145.79 25.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -96.69 102.38 14.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.567 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 0.9 OUTLIER -66.65 -47.69 71.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 141.66 165.03 10.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -93.25 133.38 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 0.803 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tt -134.63 127.39 18.55 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.22 36.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.97 163.54 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.03 -42.72 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.2 mtt85 -94.24 129.32 37.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.088 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -9.26 20.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.4 m -139.66 178.59 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.83 145.08 17.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.81 -45.58 11.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -43.92 -61.61 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -54.88 -39.96 69.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.44 -61.09 2.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -53.42 -53.02 57.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.71 -46.88 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.7 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.9 mt -48.3 -65.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -40.91 -43.78 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -52.7 -60.84 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -52.43 -58.08 7.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -62.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.2 t -73.85 59.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.8 -57.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -108.37 157.27 18.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 m -72.99 169.31 17.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 10.4 tttm -75.15 -51.07 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -66.04 -31.56 72.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -30.58 24.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 8.8 m0 -68.59 128.63 92.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 107.971 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.8 22.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.46 102.35 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.45 HG22 ' CG1' ' A' ' 67' ' ' VAL . 8.4 m -112.36 168.79 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -112.92 141.91 46.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 tpp -105.37 107.11 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -82.84 136.91 34.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.8 t -135.41 109.88 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.464 ' CB ' HG21 ' A' ' 15' ' ' VAL . . . -167.54 169.91 11.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t70 40.36 32.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.453 ' CB ' HG21 ' A' ' 82' ' ' VAL . . . 54.47 53.53 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.451 ' CG2' ' O ' ' A' ' 80' ' ' CYS . 49.9 m -146.28 153.91 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.82 104.61 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 94.4 m -116.64 119.99 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.46 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.45 ' CG1' HG22 ' A' ' 56' ' ' VAL . 57.7 t -85.52 107.95 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.6 mt -101.99 156.13 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.3 t -77.24 167.36 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 7.4 tt0 -83.1 -49.0 9.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 46.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 167.61 150.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -113.67 -28.53 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.356 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -90.9 17.33 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -108.39 77.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -76.41 96.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.74 -42.75 99.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.431 HG21 ' CE1' ' A' ' 111' ' ' HIS . 5.4 t -145.33 143.08 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -128.12 114.45 17.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.497 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 0.5 OUTLIER -125.05 150.16 47.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.436 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 16.2 mtt85 -123.29 138.4 54.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 129' ' ' ALA . 5.3 m -61.48 -14.8 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.625 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -82.95 -16.06 48.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -111.47 -15.54 13.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -58.24 153.44 15.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.81 -36.32 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 88' ' ' MET . 44.2 t80 -178.16 174.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.598 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.41 -148.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.93 154.21 7.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.0 t -79.39 126.43 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.5 -176.91 0.32 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.55 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.68 166.41 15.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.531 HG22 ' CE1' ' A' ' 95' ' ' HIS . 30.1 m -86.07 -12.3 11.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.6 OUTLIER -97.93 27.3 4.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.613 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.6 p -130.07 143.67 50.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -150.79 137.8 19.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -153.75 142.72 21.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 9.3 p90 -136.51 138.34 41.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.5 mt -87.92 131.36 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.509 ' SD ' ' CD2' ' A' ' 111' ' ' HIS . 27.9 ptm -126.75 164.93 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.56 122.49 45.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 p -105.56 -15.15 15.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.35 149.47 4.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.05 -156.7 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -89.71 16.2 8.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -89.36 141.09 28.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -135.97 136.83 40.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -108.9 140.53 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.7 t -120.68 104.14 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.268 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 79.9 m-70 -84.47 110.85 18.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.9 t -89.34 142.67 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 93.2 m-85 -146.82 167.48 23.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -121.45 115.58 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.029 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.5 m -111.82 149.05 32.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.493 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 16.4 mt-10 -135.94 151.13 73.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.577 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.2 Cg_endo -75.04 -9.66 24.13 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.956 0.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -155.61 153.96 30.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.1 42.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.82 -39.87 12.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -76.47 -40.74 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 13.3 t -63.85 -66.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.6 t -47.02 -37.61 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.2 -56.08 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.06 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.48 -50.45 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 130' ' ' CYS . 1.0 OUTLIER -59.38 -54.02 51.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.29 -27.44 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.47 ' HB2' ' CG1' ' A' ' 82' ' ' VAL . . . -78.27 -45.16 23.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 127' ' ' GLN . 42.2 t -63.55 -55.93 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.1 m -94.46 78.59 3.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -61.47 -158.78 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.24 2.89 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.479 1.779 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 94.5 p -117.03 118.28 31.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.71 169.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.56 106.48 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 110.042 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.13 157.25 9.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.14 63.03 1.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t -57.15 126.58 27.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -161.54 111.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.85 121.05 3.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 176.67 9.59 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 p -62.68 157.74 56.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.18 18.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.546 1.813 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.8 mttt 59.67 96.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 27.5 p -64.89 107.01 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.426 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -173.09 135.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -100.46 130.43 46.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 m -75.34 162.92 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' NE2' ' HB3' ' A' ' 125' ' ' ALA . 2.1 mt-30 -104.35 109.32 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -108.22 127.2 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -127.14 116.36 20.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 101.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.5 m -126.78 156.26 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 51.9 mt-30 -88.51 140.31 29.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -91.45 101.01 13.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD23 ' CZ2' ' A' ' 53' ' ' TRP . 0.9 OUTLIER -64.0 -45.83 87.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 143.49 158.92 7.75 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 15.7 ttp -90.92 129.18 36.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.4 tt -130.17 127.91 22.67 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.17 39.24 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.5 m -142.13 165.71 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -89.2 -52.49 5.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -86.02 143.94 38.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.55 16.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 87' ' ' PHE . 34.0 m -137.3 -177.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.99 130.97 5.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -45.8 41.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.09 -61.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -55.11 -49.08 72.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -46.4 -63.38 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -53.38 -54.9 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.35 -41.05 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.17 -59.18 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -49.59 -66.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -40.94 -41.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -52.97 -62.02 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 12.3 mt -53.35 -57.45 10.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.07 -64.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -74.01 59.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.36 -69.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -86.74 144.75 26.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m -73.42 165.26 25.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.3 tttm -68.5 -53.21 24.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.27 -32.24 73.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -20.71 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CZ2' HD23 ' A' ' 23' ' ' LEU . 9.5 m0 -78.73 122.85 85.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.98 26.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 102.01 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG21 ' CG1' ' A' ' 67' ' ' VAL . 9.2 m -110.04 179.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -125.38 141.14 52.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.578 ' HE3' ' CD2' ' A' ' 113' ' ' PHE . 8.7 tpp -107.88 101.42 10.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.406 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 38.0 t-20 -80.9 142.24 33.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.406 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 90.8 t -135.4 101.24 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -151.2 165.16 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 41.29 39.14 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.481 ' O ' ' CG2' ' A' ' 82' ' ' VAL . . . 50.99 52.28 15.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.43 HG22 ' CG ' ' A' ' 81' ' ' ARG . 4.8 m -142.89 159.17 42.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 ' N ' HG21 ' A' ' 64' ' ' THR . 2.7 t -123.45 102.05 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.9 m -114.06 119.78 38.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.372 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.46 ' CG1' HG21 ' A' ' 56' ' ' VAL . 60.7 t -85.29 103.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 69' ' ' SER . 7.7 mt -96.78 143.99 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 68' ' ' ILE . 40.3 t -67.44 149.88 49.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.93 -57.33 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 54.82 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.9 164.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.8 -43.5 1.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.59 -9.26 58.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.17 105.56 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 83.8 t -98.41 104.11 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.34 -61.4 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.512 HG22 ' CE1' ' A' ' 111' ' ' HIS . 4.1 t -131.4 139.61 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -120.42 96.27 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.418 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 80.0 m -109.45 148.94 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' CG ' HG22 ' A' ' 64' ' ' THR . 4.2 mtp85 -126.06 154.15 43.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.481 ' CG2' ' O ' ' A' ' 63' ' ' ALA . 10.6 m -73.25 -22.09 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -77.88 -15.47 59.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.624 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 1.1 m-85 -110.66 -20.9 12.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -51.91 165.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.6 m -131.95 -44.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.519 ' CE2' ' O ' ' A' ' 88' ' ' MET . 59.4 t80 -173.8 171.84 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.519 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 22.4 ptp -166.48 -160.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 148.67 156.42 7.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 71.7 t -84.28 119.48 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.255 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.51 -174.34 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -40.63 -64.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.66 161.05 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' ALA . 24.0 m -86.0 -9.5 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.3 m80 -96.06 18.98 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.0 p -125.25 136.85 53.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.438 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 73.1 t80 -148.84 136.08 20.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -155.44 143.69 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 46.3 p90 -138.01 144.17 40.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mt -89.48 122.62 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.477 ' SD ' ' CG2' ' A' ' 103' ' ' THR . 2.4 ppp? -115.38 165.94 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -116.8 111.43 19.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.477 ' CG2' ' SD ' ' A' ' 101' ' ' MET . 35.5 p -84.76 7.78 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 115.57 150.24 9.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 60.85 -173.28 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.98 54.92 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.425 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 12.4 mmt180 -129.38 145.33 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 107' ' ' ARG . 18.0 m-85 -139.73 137.44 35.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -126.07 136.6 53.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 53.4 t -109.72 130.35 55.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.333 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.561 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 73.7 m-70 -112.97 105.87 14.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 88.6 t -83.87 142.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.578 ' CD2' ' HE3' ' A' ' 58' ' ' MET . 91.3 m-85 -146.76 167.74 23.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.458 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 16.2 t-105 -119.53 111.02 17.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.8 m -103.69 149.48 24.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 108.293 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.501 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 22.1 mt-10 -137.55 147.76 58.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.56 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.2 Cg_endo -75.03 -9.3 24.03 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.951 -2.52 . . . . 0.0 110.997 -0.021 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.26 161.98 41.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.13 28.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -77.76 -43.3 31.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.42 -43.87 47.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.1 t -59.99 -67.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.225 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.2 t -43.71 -43.96 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.12 -54.53 32.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.404 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -51.63 -36.76 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.47 HG11 ' CE ' ' A' ' 88' ' ' MET . 93.8 t -74.84 -47.01 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -60.54 -54.12 49.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.229 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.16 -30.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' A' ' 82' ' ' VAL . . . -74.12 -50.26 20.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 6.7 t -63.37 -65.79 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 75.8 p 48.68 89.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 165.87 -107.12 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 100.29 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.7 t -120.05 -59.11 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.48 147.37 25.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -149.09 123.6 9.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.09 164.15 38.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.79 121.01 1.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.447 1.092 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t -173.28 141.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.18 142.12 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.39 78.37 1.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 106.49 2.28 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 10.8 t -147.61 137.34 12.15 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.443 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -75.01 55.82 4.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.36 116.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.5 p -75.43 127.8 33.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -108.44 69.9 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.423 HD21 ' N ' ' A' ' 15' ' ' VAL . 0.5 OUTLIER 61.04 156.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 92.6 t -129.58 147.07 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' MET . 12.5 mt-30 -114.85 109.04 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -111.24 124.67 52.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -126.68 115.78 19.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.19 101.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.242 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.54 158.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 55.1 mt-30 -88.35 140.8 29.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -94.04 100.82 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.563 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 0.9 OUTLIER -64.0 -47.85 78.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.76 -173.74 29.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.441 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 23.2 ttp -120.1 108.25 14.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.2 tt -107.39 131.11 21.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 155.61 42.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -141.07 140.59 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.65 -45.33 59.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -86.5 132.47 42.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.53 17.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -132.28 172.81 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.04 135.6 6.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.3 mtp -81.86 -39.23 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -62.18 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -54.37 -43.71 71.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.3 tp -49.5 -59.03 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -63.16 -54.69 33.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -48.77 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.53 64.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.3 mt -50.92 -65.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -39.08 -40.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.2 -62.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.432 HD11 ' CG2' ' A' ' 112' ' ' VAL . 9.6 mt -54.57 -45.6 73.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.37 -57.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.8 p -73.26 -36.87 66.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -41.99 -73.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.2 m -107.05 150.54 26.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.441 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 73.8 m -63.93 174.44 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.573 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.3 tttm -68.77 -53.38 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.92 -35.2 79.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -26.33 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.573 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 10.1 m0 -73.61 124.42 90.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.06 31.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 103.27 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.402 HG22 ' CG1' ' A' ' 67' ' ' VAL . 13.1 m -112.37 161.51 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -113.42 133.91 54.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' GLN . 21.2 tpp -92.76 100.15 12.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -80.66 132.41 35.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.5 t -135.91 110.34 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.472 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -142.78 141.36 31.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 t70 66.24 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.518 ' O ' ' CG1' ' A' ' 82' ' ' VAL . . . 178.3 36.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.422 HG22 ' CG ' ' A' ' 81' ' ' ARG . 24.6 m -127.09 149.9 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' N ' HG21 ' A' ' 64' ' ' THR . 4.9 t -118.01 100.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.468 ' CG2' HG22 ' A' ' 76' ' ' VAL . 42.4 m -110.69 125.15 53.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.402 ' CG1' HG22 ' A' ' 56' ' ' VAL . 61.1 t -87.23 105.93 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mt -98.04 151.99 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.2 t -73.84 158.55 34.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 4.3 tt0 -65.5 -47.5 75.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 68.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.0 135.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -107.13 -11.64 15.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -105.44 -24.87 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.55 107.79 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.468 HG22 ' CG2' ' A' ' 66' ' ' THR . 0.2 OUTLIER -104.95 92.48 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.1 mt -49.65 -55.11 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.5 t -133.1 150.31 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -131.66 99.08 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 63.8 m -111.62 143.48 42.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.422 ' CG ' HG22 ' A' ' 64' ' ' THR . 0.4 OUTLIER -117.47 149.44 40.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 63' ' ' ALA . 18.5 m -61.59 -33.71 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.417 ' HD2' ' CG ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -66.22 -33.88 76.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.417 ' CG ' ' HD2' ' A' ' 83' ' ' ARG . 1.6 m-85 -85.12 -18.97 32.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.426 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -63.65 143.51 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.11 -32.47 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 88' ' ' MET . 36.7 t80 -177.87 170.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.602 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.06 -148.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.97 153.38 7.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.14 149.18 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.7 -174.7 50.54 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -43.41 -50.4 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.87 155.69 19.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.538 HG23 ' CE1' ' A' ' 95' ' ' HIS . 19.3 m -81.8 -7.22 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.538 ' CE1' HG23 ' A' ' 94' ' ' VAL . 0.5 OUTLIER -101.57 18.65 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.639 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 p -128.17 131.71 48.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -136.57 139.93 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -152.62 141.29 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.572 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 6.5 p90 -137.53 140.73 41.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.412 ' N ' ' O ' ' A' ' 87' ' ' PHE . 64.8 mt -88.02 133.9 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.504 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 25.5 ptm -119.37 165.01 14.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.7 102.95 8.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.0 p -87.68 -4.74 58.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.417 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 105' ' ' ASN . . . 96.6 160.06 32.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' GLN . 3.6 m-20 66.78 58.97 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' ASN . 2.1 mt-30 35.64 41.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.38 128.36 54.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -129.29 131.62 47.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -118.7 138.82 52.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 16.5 t -115.18 108.37 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 108.249 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 80.4 m-70 -88.79 112.09 22.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.432 ' CG2' HD11 ' A' ' 44' ' ' LEU . 92.0 t -88.23 141.02 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.0 m-85 -146.17 164.94 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.427 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 7.7 t-105 -122.05 113.48 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.2 m -108.6 152.73 24.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 108.269 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 38.2 mt-10 -138.79 150.8 66.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.497 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.4 Cg_endo -75.0 -9.63 24.01 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.021 0.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -154.88 155.95 35.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.02 37.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.04 -36.59 19.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -81.37 -38.44 26.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.76 -64.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.9 t -47.03 -40.69 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.58 -55.55 14.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -50.38 -42.88 54.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 87.3 t -67.45 -51.82 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.418 ' C ' ' N ' ' A' ' 129' ' ' ALA . 0.8 OUTLIER -56.81 -57.62 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.67 -26.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.418 ' N ' ' C ' ' A' ' 127' ' ' GLN . . . -72.84 -54.91 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 51.4 t -56.89 -55.72 30.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 108.262 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.14 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -154.45 -163.99 12.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.25 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.8 t -137.98 -58.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.964 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 67.9 m 43.21 79.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -155.49 170.47 21.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 110.019 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.56 168.29 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.985 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.19 -173.27 12.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 m -165.8 168.72 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 109.96 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -169.46 168.0 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.99 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.83 -160.28 9.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.74 17.73 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.504 1.792 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.0 p -132.07 113.32 14.78 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -171.38 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.447 1.762 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 165.08 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -126.99 175.9 7.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.9 172.97 8.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.91 156.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 70.1 t -135.12 140.53 44.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 25.2 mt-30 -117.31 109.48 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.438 ' CE ' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -103.04 129.17 49.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 91.5 m-85 -124.8 111.75 15.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.17 100.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.4 m -129.48 160.89 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 47.7 mt-30 -88.75 154.85 19.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -107.27 101.33 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD21 ' CZ2' ' A' ' 53' ' ' TRP . 2.5 mp -65.23 -43.01 92.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.59 168.2 11.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.418 ' CG ' ' HB3' ' A' ' 109' ' ' GLU . 13.6 tmm? -93.66 137.8 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' N ' ' SD ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -135.93 128.29 17.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.62 43.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.69 133.82 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.26 -44.73 82.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 118.63 72.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 108' ' ' PHE . 18.3 Cg_endo -75.01 -9.27 20.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.5 m -146.33 147.44 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.03 145.3 4.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.1 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -43.35 12.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.23 -65.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -50.17 -43.89 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -50.52 -67.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 45.5 m-80 -50.86 -49.43 59.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.36 -50.91 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.6 mt -44.98 -63.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -49.69 -34.46 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -60.85 -55.7 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.98 -57.75 11.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -40.54 -63.38 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -69.97 59.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 45' ' ' MET . 22.9 t -167.33 -73.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -90.17 166.04 13.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.537 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 2.5 m -81.31 177.95 8.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.532 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 9.9 tttt -83.68 -50.48 8.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.25 -26.03 66.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.68 -23.48 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 9.6 m0 -76.12 128.17 83.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 107.975 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.38 25.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.34 102.42 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.447 HG22 ' CG1' ' A' ' 67' ' ' VAL . 5.0 m -112.03 173.35 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -119.11 141.99 48.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.418 ' HE3' ' CG ' ' A' ' 113' ' ' PHE . 7.9 tpp -102.53 101.32 11.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -80.62 135.87 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -135.34 106.19 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.459 ' HB2' ' CG2' ' A' ' 15' ' ' VAL . . . -159.62 166.85 29.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.6 t0 41.71 33.82 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.41 ' CB ' HG22 ' A' ' 82' ' ' VAL . . . 55.62 54.77 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 5.7 m -145.02 158.73 43.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' CYS . 4.6 t -124.78 100.48 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.463 ' CG2' HG21 ' A' ' 76' ' ' VAL . 95.6 m -113.45 129.79 56.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.447 ' CG1' HG22 ' A' ' 56' ' ' VAL . 61.4 t -92.07 102.51 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.1 mt -96.27 147.18 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.9 t -73.28 165.53 24.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -82.24 -35.59 28.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -75.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.74 171.11 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 0.3 OUTLIER -110.46 -18.53 13.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 2.6 pt-20 -88.66 -22.41 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.59 108.43 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.463 HG21 ' CG2' ' A' ' 66' ' ' THR . 0.2 OUTLIER -106.73 92.55 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.69 -56.28 12.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.48 HG21 ' CE1' ' A' ' 111' ' ' HIS . 3.4 t -126.58 149.61 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -130.52 95.07 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.458 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 84.8 m -112.65 150.44 31.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 51.6 mtt85 -122.17 -174.5 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.41 HG22 ' CB ' ' A' ' 63' ' ' ALA . 23.5 m -98.91 -27.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.441 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -75.22 -16.67 60.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.571 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 21.7 m-85 -110.48 -0.22 17.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.96 152.87 39.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.39 -41.12 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 88' ' ' MET . 26.8 t80 -176.61 169.26 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.513 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 18.7 ptp -169.01 -160.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.433 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.61 -164.14 28.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 77.2 t -116.54 121.35 67.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.5 -176.86 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.401 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 12.2 mmmt -40.38 -61.93 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -74.24 152.92 39.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.47 HG23 ' CE1' ' A' ' 95' ' ' HIS . 21.4 m -78.35 -5.59 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.554 ' O ' ' CE3' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -103.2 43.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 16.6 p -151.4 132.14 14.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.504 ' CZ ' HG21 ' A' ' 126' ' ' VAL . 50.8 t80 -141.8 124.05 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.433 ' CB ' HG23 ' A' ' 112' ' ' VAL . . . -143.1 152.42 41.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.458 ' HB2' ' CD2' ' A' ' 85' ' ' LEU . 32.0 p90 -143.05 141.37 31.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 17.2 mt -88.58 114.93 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.458 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 24.5 ptm -98.09 161.35 13.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.06 102.0 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.4 p -70.41 -61.85 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 105' ' ' ASN . . . 158.9 159.48 9.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 106' ' ' GLN . 2.8 t-20 81.93 -60.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 105' ' ' ASN . 4.0 mt-30 161.4 48.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.84 143.22 50.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 31' ' ' PRO . 34.7 m-85 -134.47 116.56 15.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.418 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 65.2 mt-10 -106.18 129.28 54.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.9 t -104.59 109.5 21.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 78.3 m-70 -90.46 102.48 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.433 HG23 ' CB ' ' A' ' 98' ' ' ALA . 73.4 t -82.65 144.86 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 91.9 m-85 -146.99 162.75 38.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.554 ' CE3' ' O ' ' A' ' 95' ' ' HIS . 32.8 t-105 -115.06 111.42 21.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.1 m -109.71 145.18 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.7 mt-10 -132.09 147.25 65.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.01 -35.37 2.94 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.974 0.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -124.02 156.7 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -89.33 41.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.94 -51.09 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -58.84 -49.27 78.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 21.1 t -59.9 -66.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.478 ' HA ' ' CE1' ' A' ' 97' ' ' PHE . 21.2 t -45.12 -37.85 4.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.35 -57.75 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.08 -29.67 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.504 HG21 ' CZ ' ' A' ' 97' ' ' PHE . 84.2 t -77.6 -56.56 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.401 ' C ' ' N ' ' A' ' 129' ' ' ALA . 2.1 mt-30 -54.69 -46.11 74.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.34 -32.55 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 127' ' ' GLN . . . -80.97 -55.45 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 15.5 t -46.9 -48.93 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 108.338 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -48.62 75.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.53 149.99 11.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 66.46 6.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.25 157.61 43.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.9 t -93.51 129.91 39.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -178.79 126.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.042 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.59 170.75 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.955 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.49 -142.93 4.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.63 169.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 110.024 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.8 149.73 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.09 122.42 1.65 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.72 12.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 12.9 t -120.11 136.77 25.26 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -74.98 175.78 10.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -80.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.1 m 65.85 120.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 60.42 147.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.57 147.85 30.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG2' ' HB1' ' A' ' 61' ' ' ALA . 53.4 t -119.0 150.62 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.67 110.08 15.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -105.43 130.17 53.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -129.28 115.86 18.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 99.94 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' VAL . 13.7 m -124.81 154.85 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -88.24 144.3 26.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -94.96 102.97 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.55 HD23 ' CZ2' ' A' ' 53' ' ' TRP . 0.6 OUTLIER -68.12 -43.23 78.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 142.4 156.38 6.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.466 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 26.2 ttp -94.42 107.22 19.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 0.806 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.91 141.43 22.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 169.05 23.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.78 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.8 m -152.26 166.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.74 -41.8 4.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 118.58 63.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.427 ' O ' ' CB ' ' A' ' 87' ' ' PHE . 18.3 Cg_endo -75.0 -5.54 16.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.81 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.4 m -152.16 154.34 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' ASP . . . 137.19 -16.06 3.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 68.02 -59.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.937 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -39.71 -55.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -60.43 -40.31 90.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 34' ' ' MET . 0.7 OUTLIER -54.93 -54.45 42.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -62.44 -51.67 66.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -40.43 -45.41 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.3 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.8 mt -53.97 -65.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -42.25 -42.13 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -56.57 -59.76 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 10.7 mt -51.87 -51.93 53.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -41.28 -64.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.2 p -72.28 58.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.59 -71.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -99.32 150.93 21.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.431 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 3.2 m -70.38 175.42 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.565 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 17.9 tttm -73.56 -49.46 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -65.5 -35.83 82.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -49.05 -28.68 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.565 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 7.8 m0 -73.14 125.51 90.9 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 108.04 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 137.69 22.14 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.43 102.66 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.472 HG23 ' CG1' ' A' ' 67' ' ' VAL . 12.7 m -112.9 168.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -114.37 138.23 50.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 58.6 ttm -100.74 104.52 15.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 26.0 t-20 -80.64 136.36 36.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' CG1' ' O ' ' A' ' 125' ' ' ALA . 48.3 t -133.85 109.56 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' HB1' ' CG2' ' A' ' 15' ' ' VAL . . . -164.27 166.3 21.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' ALA . 13.1 t0 40.23 35.23 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . 53.39 55.6 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.47 HG22 ' CG ' ' A' ' 81' ' ' ARG . 19.2 m -144.88 157.15 44.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.469 ' CG2' HG13 ' A' ' 126' ' ' VAL . 3.7 t -122.32 99.61 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.481 ' CG2' HG21 ' A' ' 76' ' ' VAL . 29.3 m -111.88 119.85 39.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.424 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.507 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 59.6 t -85.64 106.51 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.2 mt -99.63 159.77 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.7 t -85.18 166.08 16.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -88.11 -34.78 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.319 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -65.41 -51.99 56.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -115.41 167.25 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -109.6 -17.1 13.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.07 10.3 41.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -97.41 74.62 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 66' ' ' THR . 1.6 p -73.41 97.76 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' VAL . 6.9 mt -60.55 -46.18 91.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.0 150.35 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -133.33 97.35 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 0.4 OUTLIER -111.81 151.09 29.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.577 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 46.4 mtt180 -123.98 168.99 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 13.4 m -83.44 -28.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . 0.428 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -75.25 -16.24 60.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.577 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 17.7 m-85 -110.61 -1.92 16.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.12 154.21 35.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.5 m -117.76 -36.49 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.956 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.607 ' CE2' ' O ' ' A' ' 88' ' ' MET . 40.2 t80 -178.4 173.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.607 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -162.84 -150.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.9 156.28 8.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 69.2 t -81.08 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.67 -171.96 2.15 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -43.54 -64.08 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.58 163.28 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 119' ' ' ALA . 35.0 m -85.32 -8.77 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.425 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -99.39 17.1 21.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 p -122.58 129.65 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.375 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.443 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 47.3 t80 -140.02 127.07 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.43 145.48 33.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.597 ' CD1' ' O ' ' A' ' 99' ' ' PHE . 6.9 p90 -132.75 140.0 47.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 41.8 mt -89.72 126.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.504 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 26.4 ptm -120.12 165.18 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -123.08 109.15 13.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.1 p -100.9 -59.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.42 -144.53 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -85.36 -77.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -105.19 17.77 23.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -94.95 152.53 18.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -139.87 149.28 43.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.466 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 18.7 mt-10 -128.32 135.88 50.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.95 112.28 23.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 81.4 m-70 -93.76 105.74 17.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.566 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 87.4 t -82.38 142.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.8 m-85 -146.85 161.17 41.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . 0.425 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 27.9 t-105 -114.57 111.52 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.02 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.4 m -109.63 143.51 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.5 mt-10 -131.6 149.28 73.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -26.28 9.41 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.997 0.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -134.91 156.87 48.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -90.15 39.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.42 -41.99 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -72.44 -42.65 64.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.8 t -63.36 -66.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.4 t -45.14 -37.78 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.38 -58.51 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.414 ' O ' ' CG1' ' A' ' 60' ' ' VAL . . . -51.76 -22.79 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.469 HG13 ' CG2' ' A' ' 65' ' ' VAL . 72.2 t -91.16 -45.73 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.451 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 2.2 mm-40 -64.39 -54.91 25.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.08 -21.23 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.33 -52.77 12.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.3 t -62.09 -51.93 65.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 108.347 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 90.4 p 40.09 90.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -58.65 174.51 2.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 62.55 5.82 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.771 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.8 m 61.73 127.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.1 m -89.08 -61.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 111.065 179.93 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -138.27 112.96 8.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -135.21 129.94 34.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.77 115.18 1.74 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.87 79.68 2.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -126.81 166.09 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.84 148.78 19.39 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 64.2 6.07 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 p -146.37 113.65 4.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.362 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.79 21.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.92 167.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.2 t -135.53 105.21 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.426 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -173.8 125.61 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.13 133.64 35.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.7 m -75.56 163.35 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -104.27 109.32 21.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -109.57 123.03 48.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -123.76 118.72 27.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.01 99.9 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.9 m -125.37 157.99 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 54.3 mt-30 -88.69 154.83 19.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -106.92 103.26 12.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.567 HD22 ' CZ2' ' A' ' 53' ' ' TRP . 1.9 mp -67.49 -47.32 70.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.34 -176.32 28.13 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.518 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 11.7 ttp -114.93 114.9 26.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.73 128.21 25.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 156.12 42.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 14.7 m -151.48 148.54 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.23 -43.4 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.48 119.04 75.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -8.59 20.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.3 m -142.48 155.21 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.81 114.58 2.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mtp -63.14 -39.17 93.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.27 -67.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -52.45 -46.52 66.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.15 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -47.94 -39.36 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -36.96 85.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.44 -32.25 72.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 45' ' ' MET . 10.1 mt -69.71 -70.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.505 ' CG ' ' N ' ' A' ' 43' ' ' ASN . 5.6 pt-20 -37.61 -47.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . 0.505 ' N ' ' CG ' ' A' ' 42' ' ' GLU . 3.9 t-20 -59.69 -54.68 43.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.456 HD13 ' CG2' ' A' ' 112' ' ' VAL . 6.2 mt -64.92 -14.07 58.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 41' ' ' ILE . 51.2 mtp -90.06 -42.37 11.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 4.6 t -79.95 -10.56 59.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.42 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.3 t -72.58 -81.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.0 m -90.54 172.21 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -81.14 167.91 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.558 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 8.5 tttm -64.53 -55.64 19.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.49 -30.7 71.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -22.08 9.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.567 ' CZ2' HD22 ' A' ' 23' ' ' LEU . 7.5 m0 -77.49 127.22 83.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.24 25.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.76 102.29 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.466 HG23 ' CG1' ' A' ' 67' ' ' VAL . 5.3 m -110.72 176.18 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -119.32 141.14 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.1 tpp -106.82 98.19 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.432 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 44.5 t-20 -80.76 140.52 35.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.432 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 44.1 t -133.6 108.74 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 62' ' ' ASP . . . -158.19 165.13 35.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' ALA . 16.2 t0 40.38 42.01 1.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.451 ' CB ' HG22 ' A' ' 82' ' ' VAL . . . 48.79 53.26 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 80' ' ' CYS . 23.7 m -146.42 155.08 42.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.452 ' CG2' HG11 ' A' ' 126' ' ' VAL . 2.7 t -120.3 99.64 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.44 ' CG2' HG21 ' A' ' 76' ' ' VAL . 69.5 m -107.83 119.55 39.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.466 ' CG1' HG23 ' A' ' 56' ' ' VAL . 61.4 t -85.48 106.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.1 mt -101.06 151.53 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.1 t -68.55 157.1 36.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -68.74 -48.85 62.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 64.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 166.4 113.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.04 62.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -178.1 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -65.87 69.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.466 ' N ' ' O ' ' A' ' 74' ' ' GLU . 1.5 p -62.81 100.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.435 ' CD1' HG11 ' A' ' 56' ' ' VAL . 8.9 mt -60.69 -46.99 88.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.423 HG21 ' CE1' ' A' ' 111' ' ' HIS . 20.1 t -143.02 143.43 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.2 98.06 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.588 ' SG ' ' CE1' ' A' ' 99' ' ' PHE . 4.3 t -100.0 146.03 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 108.312 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.417 ' CG ' HG21 ' A' ' 64' ' ' THR . 13.0 mtt180 -125.5 131.35 52.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.451 HG22 ' CB ' ' A' ' 63' ' ' ALA . 3.6 m -59.95 -18.53 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.99 -20.53 38.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -107.84 -3.4 19.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.17 152.35 41.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 m -117.17 -35.56 4.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 88' ' ' MET . 35.4 t80 -177.52 168.53 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.603 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 19.8 ptp -169.23 -164.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.39 176.08 20.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.2 t -94.09 138.25 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.247 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.79 -175.66 15.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -42.05 -57.32 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.52 151.64 30.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.492 HG21 ' CE1' ' A' ' 95' ' ' HIS . 25.1 m -77.48 -6.79 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.492 ' CE1' HG21 ' A' ' 94' ' ' VAL . 0.1 OUTLIER -102.83 39.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.2 p -151.23 128.08 10.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.443 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 27.3 t80 -133.97 133.68 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -147.58 152.58 38.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.588 ' CE1' ' SG ' ' A' ' 80' ' ' CYS . 8.7 p90 -146.41 143.06 28.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.8 mt -88.47 126.91 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.41 ' SD ' ' CD2' ' A' ' 111' ' ' HIS . 26.4 ptm -124.56 163.13 22.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -112.68 132.27 55.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.1 p -119.72 -55.44 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.388 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.83 -151.31 16.44 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -93.31 133.64 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 0.795 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 49.23 22.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.3 mmt-85 -115.5 139.31 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 -139.6 134.87 32.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.481 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 46.3 mm-40 -114.28 152.02 32.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 t -126.39 112.35 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.555 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 63.9 m-70 -94.17 113.96 25.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.637 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.456 ' CG2' HD13 ' A' ' 44' ' ' LEU . 89.3 t -91.6 143.33 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . 0.555 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.7 m-85 -146.75 163.1 37.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -118.11 122.54 43.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.0 m -124.55 142.31 51.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 108.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.514 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.2 mt-10 -124.2 146.5 51.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.05 -44.52 0.55 Allowed 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.948 0.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -117.88 151.2 37.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.443 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -88.14 44.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.92 -52.79 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -57.81 -49.94 74.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.433 HG12 ' CD2' ' A' ' 97' ' ' PHE . 27.9 t -57.75 -68.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.9 t -43.82 -40.63 4.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.7 -55.04 14.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.18 -34.31 44.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.469 HG12 ' CE ' ' A' ' 88' ' ' MET . 69.1 t -74.81 -48.02 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -62.08 -50.26 72.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.79 -26.85 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -75.39 -41.73 55.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 29.8 t -73.46 -64.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.279 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.0 t 69.04 106.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -126.65 -176.95 14.67 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.97 23.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.38 -57.81 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 75.3 p -119.83 123.29 43.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.871 HG22 ' HB2' ' A' ' 61' ' ' ALA . 77.1 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -118.51 109.69 16.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.623 ' HD3' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -104.62 131.18 52.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CD2' HG22 ' A' ' 122' ' ' VAL . 70.6 m-85 -130.77 115.65 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.49 100.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 56' ' ' VAL . 11.5 m -125.92 158.12 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.9 mt-30 -88.48 153.04 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.741 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -105.4 103.83 13.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -68.65 -46.92 67.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.19 -174.4 30.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.458 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 18.6 ttp -116.41 110.29 18.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 27' ' ' PRO . 3.7 tt -111.74 127.6 26.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.441 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.05 155.89 42.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.1 m -144.2 150.63 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.37 -50.14 8.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 115.28 53.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.587 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.2 Cg_endo -75.05 -5.33 16.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.432 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.8 m -142.29 142.68 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.39 160.04 9.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -101.49 -47.6 4.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.01 -60.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m -56.39 -42.38 77.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD11 ' O ' ' A' ' 98' ' ' ALA . 2.6 tp -53.52 -61.15 2.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -54.69 -51.52 65.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.2 t -47.27 -46.33 24.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.29 -56.43 22.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -52.22 -67.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -39.45 -40.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -61.05 -56.82 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 44' ' ' LEU . 11.8 mt -61.72 -47.87 83.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 19.0 tttm -72.95 -50.55 22.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.2 -27.01 68.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.09 -37.75 88.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.513 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 11.0 m0 -61.36 127.22 87.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 108.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.404 ' O ' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.99 135.08 18.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 102.47 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 20' ' ' VAL . 4.5 m -111.73 175.33 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -121.79 140.8 51.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 tpp -102.78 103.89 14.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 22.0 t-20 -81.31 136.84 35.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.453 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 81.0 t -135.32 113.05 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.871 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -166.3 166.82 16.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t70 40.73 37.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.783 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 53.17 54.06 10.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 80' ' ' CYS . 16.5 m -145.43 158.78 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.5 t -126.92 102.89 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.594 ' CG2' HG13 ' A' ' 76' ' ' VAL . 99.6 m -115.3 122.1 44.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.397 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.448 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 87.8 t -85.48 107.14 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 75' ' ' GLU . 13.7 mt -99.38 145.29 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.518 ' HA ' HD11 ' A' ' 77' ' ' LEU . 6.2 t -62.01 177.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' N ' ' OG ' ' A' ' 69' ' ' SER . 7.1 tt0 -93.02 -42.47 9.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -95.89 47.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m120 172.43 111.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.61 1.68 50.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -106.28 -43.3 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.796 ' O ' HG23 ' A' ' 68' ' ' ILE . 10.1 tt0 -52.61 139.91 24.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.594 HG13 ' CG2' ' A' ' 66' ' ' THR . 47.0 t -124.66 93.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 69' ' ' SER . 3.6 mt -56.88 -64.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.741 HG21 ' OH ' ' A' ' 22' ' ' TYR . 24.8 t -125.03 141.88 43.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -123.26 101.3 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.41 ' O ' HG23 ' A' ' 64' ' ' THR . 94.7 m -113.08 150.06 32.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 108.26 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -126.92 141.9 51.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 63' ' ' ALA . 5.8 m -62.24 -20.82 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -22.71 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.31 0.43 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.873 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.77 161.94 28.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.82 -43.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CD2' ' N ' ' A' ' 88' ' ' MET . 43.5 t80 -171.43 173.19 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.526 ' N ' ' CD2' ' A' ' 87' ' ' PHE . 16.9 ptp -172.24 -158.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 143.38 170.84 13.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' A' ' 94' ' ' VAL . 73.5 t -91.45 125.7 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -61.91 -171.7 1.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -40.37 -65.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -75.99 147.44 38.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.505 ' HA ' HG11 ' A' ' 90' ' ' VAL . 21.2 m -76.59 -4.46 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.2 m80 -99.34 36.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.616 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 23.4 p -150.46 139.45 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.482 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 49.0 t80 -140.67 127.39 20.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.623 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -140.58 146.92 38.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.873 ' HB2' HD21 ' A' ' 85' ' ' LEU . 18.1 p90 -144.41 140.48 29.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.587 HG21 ' HA ' ' A' ' 31' ' ' PRO . 21.1 mt -88.0 123.14 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.401 ' SD ' ' SG ' ' A' ' 80' ' ' CYS . 26.1 ptm -110.01 165.03 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 t0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.414 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 31.5 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.505 0.193 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -120.85 134.66 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.623 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 19.0 t -110.21 112.08 23.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 108.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 78.7 m-70 -91.49 109.96 21.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.793 HG12 HD13 ' A' ' 23' ' ' LEU . 97.2 t -86.11 143.02 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 96.9 m-85 -146.78 164.69 31.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -120.25 116.52 25.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -115.69 144.71 43.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 108.306 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.0 mp0 -128.59 149.55 72.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.595 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.3 Cg_endo -75.0 -12.69 23.92 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.0 -0.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 118' ' ' ASN . 0.3 OUTLIER -157.1 148.27 21.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -81.59 51.62 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.49 -48.71 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -71.58 -42.15 68.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 18' ' ' PHE . 14.6 t -59.64 -58.68 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 6.8 t -52.58 -41.48 63.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.9 -55.95 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -49.89 -34.18 19.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.42 -44.44 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 123' ' ' SER . 4.6 mm100 -60.51 -54.79 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.23 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.877 HG22 ' HB2' ' A' ' 61' ' ' ALA . 93.9 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 27.5 mt-30 -121.94 110.03 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -102.53 125.07 49.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.549 ' O ' HG13 ' A' ' 20' ' ' VAL . 81.4 m-85 -124.18 110.17 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.16 99.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 18' ' ' PHE . 3.3 m -127.69 162.57 33.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 31.0 mt-30 -88.49 161.89 16.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -113.57 102.15 10.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD13 HG12 ' A' ' 112' ' ' VAL . 1.2 mp -64.51 -45.99 84.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.69 169.98 11.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -97.64 135.79 38.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -135.69 127.47 17.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 146.93 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.3 m -142.12 146.71 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -56.92 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 118.33 62.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.606 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.03 -11.64 21.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.795 HG12 ' HB2' ' A' ' 87' ' ' PHE . 18.8 m -138.45 174.93 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.56 148.9 20.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -35.39 17.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.05 -66.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.8 m -51.01 -47.81 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.425 HD11 ' O ' ' A' ' 98' ' ' ALA . 4.1 tp -44.79 -68.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -50.36 -57.02 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.21 -47.12 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -57.45 -58.14 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.3 mt -52.02 -65.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -38.85 -37.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.89 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.448 HD12 HG21 ' A' ' 112' ' ' VAL . 13.9 mt -49.56 -54.64 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 10.2 tttm -67.31 -52.85 35.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.41 -27.63 69.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -17.82 16.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.488 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 9.2 m0 -82.08 127.59 71.22 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.12 23.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.9 102.07 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' VAL . 12.1 m -111.06 171.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -116.03 136.68 52.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.0 tpp -99.64 107.37 19.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -85.31 137.3 33.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.0 t -135.39 110.68 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.877 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -167.25 168.17 13.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t0 41.53 37.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.797 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 50.77 51.89 16.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 80' ' ' CYS . 52.4 m -144.15 155.05 43.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG21 HG13 ' A' ' 126' ' ' VAL . 3.0 t -119.89 101.37 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.64 ' CG2' HG13 ' A' ' 76' ' ' VAL . 95.0 m -111.6 133.0 54.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.59 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.8 mt -95.88 143.89 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.474 ' HA ' HD11 ' A' ' 77' ' ' LEU . 28.8 t -65.38 170.93 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.93 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.435 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 9.1 tt0 -97.4 -47.67 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -36.97 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -123.66 115.3 21.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.17 52.45 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -158.0 -44.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -52.77 119.03 4.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.64 HG13 ' CG2' ' A' ' 66' ' ' THR . 54.3 t -94.94 93.15 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 69' ' ' SER . 3.2 mt -56.89 -60.57 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.51 147.68 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -131.33 101.27 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.555 ' O ' HG23 ' A' ' 64' ' ' THR . 0.9 OUTLIER -108.51 150.39 27.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 108.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -123.58 136.65 54.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 63' ' ' ALA . 14.1 m -60.03 -18.99 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -81.03 -25.66 36.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.415 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -101.03 -8.45 22.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.841 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -65.33 161.06 20.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 72.2 m -124.23 -41.8 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.795 ' HB2' HG12 ' A' ' 32' ' ' VAL . 42.6 t80 -177.35 172.69 1.83 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.529 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 15.3 ptp -169.56 -158.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 150.87 175.4 22.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.6 t -97.39 115.11 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -51.24 -175.79 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -40.78 -72.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.5 OUTLIER -64.43 164.08 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 22.7 m -86.84 -12.52 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.48 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -95.65 22.92 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 20.0 p -126.13 145.78 50.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 47.0 t80 -156.07 139.44 15.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.425 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -156.77 152.16 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.841 ' HB2' HD21 ' A' ' 85' ' ' LEU . 10.7 p90 -146.76 140.98 26.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 31' ' ' PRO . 17.3 mt -88.23 121.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.406 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 26.7 ptm -110.93 161.42 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.407 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 19.1 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.433 0.159 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -114.08 134.49 54.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.403 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 10.2 t -111.96 108.75 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 76.9 m-70 -89.33 111.46 22.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.615 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.817 HG12 HD13 ' A' ' 23' ' ' LEU . 63.2 t -88.81 143.11 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.9 m-85 -146.65 162.33 38.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 15.8 t-105 -120.59 109.14 14.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 2.9 m -105.67 153.78 21.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 18.4 mt-10 -139.0 149.74 62.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -8.0 23.49 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.007 0.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 11.9 p30 -158.1 157.67 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.21 23.94 3.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.93 -40.71 65.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -76.81 -36.24 57.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 t -68.37 -66.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 13.7 t -46.42 -38.2 8.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.86 -49.66 64.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.64 -27.37 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.484 HG12 ' CE ' ' A' ' 88' ' ' MET . 69.2 t -83.57 -42.98 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 123' ' ' SER . 5.7 mm-40 -64.36 -49.96 69.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.897 HG22 ' HB2' ' A' ' 61' ' ' ALA . 72.6 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -121.78 109.93 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -105.15 130.17 53.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -125.84 120.86 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 100.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 115' ' ' CYS . 17.8 m -128.28 156.32 40.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.416 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 58.4 mt-30 -88.57 143.54 26.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.565 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -94.46 114.93 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.919 HD13 HG12 ' A' ' 112' ' ' VAL . 1.6 mp -80.51 -44.43 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.04 177.24 17.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.477 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 21.4 ttp -108.76 113.58 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -109.75 127.43 27.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.52 36.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.39 166.67 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.43 -54.8 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 121.39 85.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.02 -8.26 19.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -136.79 -172.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.15 155.5 32.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.56 -39.58 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.29 -62.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -53.46 -45.1 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tp -48.0 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -49.89 -50.15 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -49.5 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.69 -64.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.2 mt -41.71 -68.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -40.55 -43.68 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -52.52 -60.13 3.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.93 -59.26 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.542 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 15.5 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 1.7 tttt -77.59 -52.48 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.65 -28.33 69.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -58.68 -18.14 28.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.583 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 10.5 m0 -84.23 125.02 73.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.0 26.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.8 103.19 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 m -111.92 172.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -121.49 136.05 54.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.1 tpp -97.22 104.44 16.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 28.9 t-20 -80.79 137.59 36.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 71.5 t -135.21 103.66 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.897 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -159.3 168.29 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t0 40.25 32.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.845 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 54.87 53.75 10.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 61' ' ' ALA . 55.3 m -144.9 153.87 42.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.7 t -117.41 99.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 m -111.53 125.17 53.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.38 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.7 t -90.16 111.82 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.9 mt -107.12 157.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -71.05 166.75 20.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.22 -34.54 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -85.73 -90.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -47.24 156.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -116.36 -8.65 11.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.03 -20.79 13.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -70.35 102.16 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.479 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -99.85 95.81 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.52 -51.04 66.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.565 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.8 t -134.09 151.07 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -133.64 95.16 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.411 ' O ' HG23 ' A' ' 64' ' ' THR . 66.6 m -104.43 150.48 24.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -125.87 138.99 53.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.845 HG22 ' O ' ' A' ' 63' ' ' ALA . 14.6 m -60.05 -19.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -22.96 40.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -105.52 0.33 26.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -75.23 157.7 34.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 m -122.65 -41.03 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 88' ' ' MET . 32.9 t80 -174.06 170.53 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.51 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 15.1 ptp -170.65 -158.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.061 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 146.15 177.64 20.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 119' ' ' ALA . 40.8 t -97.92 119.56 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.35 -174.15 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -40.1 -73.74 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.797 . . . . 0.0 109.266 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.4 OUTLIER -60.19 163.85 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 119' ' ' ALA . 24.7 m -86.38 -11.1 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.1 m-70 -100.99 31.85 3.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 4.7 p -132.24 133.71 44.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.509 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 48.0 t80 -146.58 121.63 10.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.53 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -137.01 149.27 47.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.866 ' HB2' HD21 ' A' ' 85' ' ' LEU . 23.4 p90 -145.25 142.68 29.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.464 HG21 ' HA ' ' A' ' 31' ' ' PRO . 21.0 mt -87.9 132.34 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.8 ptm -124.7 164.91 18.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.519 0.2 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -124.98 139.07 54.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.53 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 49.5 t -118.46 110.32 17.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.277 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 87.0 m-70 -90.83 116.25 28.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.919 HG12 HD13 ' A' ' 23' ' ' LEU . 74.0 t -91.98 141.59 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.1 m-85 -146.82 162.86 37.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.438 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 9.8 t-105 -116.53 103.0 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.695 ' HA ' HG12 ' A' ' 20' ' ' VAL . 8.9 m -94.64 151.64 19.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.2 mt-10 -140.86 150.43 59.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -9.81 23.89 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.004 -0.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 16.9 p30 -151.43 160.2 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.354 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.695 ' HB3' HG22 ' A' ' 90' ' ' VAL . . . -91.78 33.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.63 -46.17 9.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.0 -43.52 67.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.9 t -61.23 -65.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 30.2 t -48.79 -33.92 11.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.01 -57.15 5.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.83 -24.36 22.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 122' ' ' VAL . 99.2 t -87.78 -53.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 123' ' ' SER . 0.9 OUTLIER -52.34 -56.23 16.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.871 HG22 ' HB2' ' A' ' 61' ' ' ALA . 86.2 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -125.38 110.12 13.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -107.61 126.43 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -126.93 115.43 19.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.44 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.48 99.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 115' ' ' CYS . 17.2 m -122.61 158.47 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 113' ' ' PHE . 60.4 mt-30 -89.34 142.21 27.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.774 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -94.88 113.02 24.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.8 HD13 HG12 ' A' ' 112' ' ' VAL . 0.5 OUTLIER -79.63 -45.46 19.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 141.68 162.99 9.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -91.44 133.59 35.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.72 128.5 21.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 158.74 41.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.45 HG21 HD13 ' A' ' 100' ' ' ILE . 29.8 m -142.68 152.89 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.57 -49.05 11.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -91.38 136.2 27.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -16.11 20.55 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.768 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 87' ' ' PHE . 8.1 m -133.89 167.63 25.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.55 126.16 3.69 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.2 mtp -71.52 -45.9 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -60.85 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 m -54.69 -37.97 66.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.3 tp -61.02 -66.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -49.72 -56.84 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -41.85 -45.08 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -57.76 -61.68 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 98' ' ' ALA . 95.7 mt -47.07 -66.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.06 -44.55 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.88 -57.72 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.483 HD12 HG21 ' A' ' 112' ' ' VAL . 14.8 mt -59.11 -45.82 89.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.2 tttm -71.78 -50.27 31.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -63.3 -38.3 90.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -49.23 -32.94 11.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 15.4 m0 -65.81 128.1 93.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.65 23.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.51 102.14 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -110.7 172.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -116.17 143.67 45.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.3 tpp -107.14 104.32 13.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 28.0 t-20 -80.93 136.47 36.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.434 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 60.4 t -135.36 97.69 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.871 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -153.97 167.36 30.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.7 t0 41.0 37.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.875 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 51.59 52.85 13.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.51 HG23 ' HG2' ' A' ' 81' ' ' ARG . 54.3 m -143.52 153.33 42.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -120.6 100.5 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.6 m -115.32 122.92 47.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.01 100.9 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 75' ' ' GLU . 5.0 mt -94.17 147.95 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.6 t -70.24 159.43 34.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 6.3 tt0 -75.92 -50.64 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -89.16 45.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.67 163.62 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -126.08 -51.6 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.36 -13.14 61.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 68' ' ' ILE . 5.0 tt0 -80.65 110.54 16.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.567 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -110.09 92.83 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.19 -58.69 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.774 HG21 ' OH ' ' A' ' 22' ' ' TYR . 6.1 t -128.42 144.0 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.27 104.17 8.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.41 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 99.1 m -117.11 146.22 43.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.51 ' HG2' HG23 ' A' ' 64' ' ' THR . 81.1 mtt180 -118.81 148.41 42.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 63' ' ' ALA . 13.2 m -70.94 -24.62 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 84' ' ' PHE . 1.6 ppt_? -74.67 -19.35 60.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.451 ' CE2' ' CZ ' ' A' ' 83' ' ' ARG . 1.6 m-85 -105.63 -7.1 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -67.41 147.63 52.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.3 m -115.17 -34.42 5.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.04 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 88' ' ' MET . 48.5 t80 -178.27 170.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.573 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.01 -149.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 131.93 150.19 6.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 t -73.28 141.6 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.03 -178.04 30.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -41.85 -49.91 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -87.03 157.93 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' ALA . 21.2 m -82.98 -5.69 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.5 OUTLIER -102.08 17.23 23.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.578 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 p -126.37 131.35 51.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -135.94 136.16 40.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.478 ' HB3' HD11 ' A' ' 41' ' ' ILE . . . -149.84 144.68 26.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.851 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.1 p90 -143.57 146.7 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.79 ' O ' HD23 ' A' ' 85' ' ' LEU . 19.3 mt -94.79 128.61 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.41 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 2.1 ppp? -120.04 165.88 14.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.487 0.184 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -109.09 138.08 45.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.0 t -117.74 101.65 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' ALA . 65.6 m-70 -84.2 147.74 27.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.8 HG12 HD13 ' A' ' 23' ' ' LEU . 98.7 t -122.7 138.33 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 85.2 m-85 -146.71 165.43 29.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.555 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 11.0 t-105 -119.17 114.58 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.401 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.9 m -107.59 151.24 25.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.257 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 26.3 mt-10 -139.98 151.04 64.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -74.99 -9.66 23.98 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.982 -0.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 6.1 p30 -153.71 154.66 34.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.55 37.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.94 -39.84 15.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -77.88 -40.05 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 126' ' ' VAL . 3.6 t -63.69 -63.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.2 t -48.87 -39.91 27.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.36 -56.71 11.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.39 -34.5 34.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 122' ' ' VAL . 78.8 t -75.34 -49.69 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -59.8 -55.11 38.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.678 HG12 ' HB2' ' A' ' 61' ' ' ALA . 1.7 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 6.7 mt-30 -103.52 109.19 20.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HE3' ' CG2' ' A' ' 15' ' ' VAL . 17.7 mttt -105.7 125.75 51.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 80.0 m-85 -125.09 115.39 20.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.43 99.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 115' ' ' CYS . 20.4 m -123.72 156.68 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 49.1 mt-30 -88.47 141.12 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.721 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -91.08 110.61 21.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.803 HD13 HG12 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -78.69 -46.64 18.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 139.07 166.06 10.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 111.051 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.469 ' CG ' ' HB3' ' A' ' 109' ' ' GLU . 17.3 tmm? -94.52 131.84 39.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.976 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -126.26 127.52 24.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.0 37.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.16 171.04 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.42 -50.76 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -85.27 138.13 36.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.592 ' O ' HD12 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.0 -25.38 11.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.859 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.1 m -128.81 177.2 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.91 137.51 7.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 99.8 mmm -82.12 -36.98 26.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.89 -65.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -57.8 -38.26 75.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.6 tp -53.46 -69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -51.0 -57.26 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.94 -46.14 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -56.81 -53.48 57.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.423 HG12 HG13 ' A' ' 112' ' ' VAL . 60.7 mt -55.48 -67.19 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.45 -39.68 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.12 -59.52 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 12.4 mt -59.74 -44.43 93.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -72.6 -49.99 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -61.46 -34.39 75.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -35.79 59.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.546 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 16.1 m0 -65.17 124.96 88.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 139.56 24.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.29 102.28 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -110.68 173.99 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -119.56 141.22 49.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.577 ' SD ' HG22 ' A' ' 67' ' ' VAL . 5.4 tpp -107.52 101.75 11.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.554 ' ND2' HG21 ' A' ' 15' ' ' VAL . 42.9 t-20 -80.98 139.54 35.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 45.0 t -133.23 102.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.678 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -152.38 165.35 35.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.67 42.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.83 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 47.76 52.96 12.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 80' ' ' CYS . 23.2 m -144.88 156.15 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.6 t -120.74 103.67 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -113.62 119.02 36.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.577 HG22 ' SD ' ' A' ' 58' ' ' MET . 62.3 t -87.0 100.88 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 73' ' ' GLU . 6.9 mt -91.45 157.62 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -77.33 170.37 16.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -88.72 -44.0 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -63.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.39 161.64 14.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.492 ' O ' HD13 ' A' ' 68' ' ' ILE . 3.6 mt-10 -113.59 -32.35 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.32 -22.75 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -63.47 158.89 19.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.7 t -143.42 92.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.87 -50.4 72.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.721 HG21 ' OH ' ' A' ' 22' ' ' TYR . 8.9 t -144.69 142.15 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -126.56 102.19 7.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.544 ' O ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -111.74 150.4 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.275 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -125.34 139.69 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 63' ' ' ALA . 16.9 m -59.06 -19.24 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -27.83 38.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.99 1.18 39.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.81 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -78.89 153.73 30.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -39.66 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.859 ' HB2' HG12 ' A' ' 32' ' ' VAL . 76.1 t80 -178.19 174.08 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.48 ' HE3' HG12 ' A' ' 126' ' ' VAL . 21.3 ptp -170.23 -161.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 149.39 173.02 19.58 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.76 128.82 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.747 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.85 -179.0 2.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -41.76 -45.16 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.236 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -88.98 157.43 18.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 119' ' ' ALA . 33.7 m -83.92 -3.06 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 0.2 OUTLIER -105.07 17.2 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.565 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -125.45 125.6 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.492 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 48.2 t80 -133.99 128.11 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 111' ' ' HIS . . . -142.55 151.87 42.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.81 ' HB2' HD21 ' A' ' 85' ' ' LEU . 8.4 p90 -147.1 141.15 26.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.596 ' O ' HD23 ' A' ' 85' ' ' LEU . 18.0 mt -88.13 129.4 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 27.6 ptm -120.79 164.56 16.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.517 0.198 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.469 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 54.4 mt-10 -103.25 138.82 39.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.0 t -120.24 104.85 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 63.0 m-70 -84.3 143.34 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.594 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.803 HG12 HD13 ' A' ' 23' ' ' LEU . 60.5 t -117.79 139.8 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 91.9 m-85 -146.02 161.42 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -113.88 110.94 20.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.051 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.51 ' HA ' HG12 ' A' ' 20' ' ' VAL . 6.5 m -104.57 147.43 27.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.274 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mt-10 -139.68 149.76 60.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.04 -17.36 20.17 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.938 -2.526 . . . . 0.0 111.038 -0.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 23.7 p30 -140.61 160.03 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -95.29 24.94 4.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.22 -45.82 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -67.62 -44.8 77.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 126' ' ' VAL . 4.7 t -60.97 -66.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.8 t -45.64 -39.02 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.85 -53.88 23.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.18 -28.45 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.48 HG12 ' HE3' ' A' ' 88' ' ' MET . 93.8 t -83.08 -53.97 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -57.07 -46.83 82.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.889 HG22 ' HB2' ' A' ' 61' ' ' ALA . 93.4 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -119.98 109.77 15.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -104.2 125.3 50.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 20' ' ' VAL . 56.9 m-85 -124.13 111.43 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 103.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 18' ' ' PHE . 4.1 m -130.75 161.63 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 47.9 mt-30 -89.25 152.71 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.666 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -103.74 101.59 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.786 HD13 HG12 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -65.71 -45.33 83.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 145.38 161.1 8.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.463 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 28.8 ttp -97.17 107.05 19.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 27' ' ' PRO . 4.6 tt -108.77 127.64 26.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.575 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 163.55 35.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.441 1.759 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.43 HG13 ' C ' ' A' ' 27' ' ' PRO . 34.5 m -153.42 142.92 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.57 -41.41 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.65 114.65 51.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' C ' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.97 -2.25 12.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG13 ' C ' ' A' ' 31' ' ' PRO . 33.0 m -154.58 151.51 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.78 120.6 2.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -41.78 93.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -47.11 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 m -49.1 -48.66 44.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.39 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 4.2 tp -45.69 -59.87 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -58.31 -55.6 32.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -41.73 -40.44 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -61.98 -64.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.432 HG12 ' CG1' ' A' ' 112' ' ' VAL . 89.6 mt -48.07 -57.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -46.22 -36.36 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -64.57 -60.31 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.541 HD11 ' O ' ' A' ' 24' ' ' GLY . 13.5 mt -53.62 -47.36 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 19.9 tttm -64.96 -46.82 79.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.02 -30.01 64.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -21.0 8.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.0 m0 -76.61 127.15 84.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 108.028 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.73 23.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.97 102.2 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.13 173.09 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -118.95 141.95 48.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.9 tpp -104.27 104.83 14.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -81.06 136.59 35.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.26 108.4 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -165.83 168.84 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 t70 40.45 33.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.89 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 54.23 54.34 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ALA . 51.9 m -145.7 153.36 40.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' CYS . 3.3 t -118.67 102.73 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -116.39 124.13 49.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.469 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 87.3 t -89.65 106.37 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 75' ' ' GLU . 16.2 mt -99.5 145.33 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -59.55 171.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -83.73 -46.1 12.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -99.47 64.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 170.32 171.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.3 mt-10 -133.73 -45.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -9.57 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.619 ' O ' HG23 ' A' ' 68' ' ' ILE . 1.1 tt0 -84.91 110.33 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -111.26 99.35 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.43 -53.16 61.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.666 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.6 t -131.33 148.42 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -133.23 101.45 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' VAL . 94.7 m -115.32 150.41 36.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 108.327 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -121.22 136.31 54.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.89 HG22 ' O ' ' A' ' 63' ' ' ALA . 7.5 m -60.92 -19.33 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -21.46 44.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -103.04 -19.98 14.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -49.0 174.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.417 ' H ' HD23 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -142.95 -46.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 88' ' ' MET . 19.2 t80 -167.52 167.25 13.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.511 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 21.0 ptp -167.32 -163.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.408 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 149.62 165.27 12.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 96' ' ' THR . 74.8 t -89.09 120.06 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -50.51 -177.25 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLY . 9.9 mmtt -39.88 -59.6 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.22 161.03 29.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 119' ' ' ALA . 35.2 m -85.8 -10.1 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.475 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -97.44 19.85 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.626 ' O ' HG13 ' A' ' 90' ' ' VAL . 12.0 p -126.6 139.02 53.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -145.86 145.57 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.453 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -164.08 149.69 10.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.901 ' HB2' HD21 ' A' ' 85' ' ' LEU . 16.3 p90 -145.58 143.67 30.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.403 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 14.5 mt -89.22 127.17 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -110.97 165.94 11.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 t0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.403 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 38.0 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.486 0.184 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.463 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 27.7 mt-10 -115.71 127.56 55.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.0 103.39 12.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 39.9 m-70 -83.91 110.18 18.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.616 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.786 HG12 HD13 ' A' ' 23' ' ' LEU . 98.6 t -89.22 142.98 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 79.7 m-85 -146.66 161.93 39.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.475 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 5.2 t-105 -115.73 114.06 24.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.2 m -109.79 148.31 31.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.2 mt-10 -131.2 145.22 56.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.01 -37.28 2.29 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.009 0.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -126.84 154.65 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -87.81 43.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.08 -41.17 11.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.48 -38.44 49.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.79 -63.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 t -49.13 -36.28 18.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.59 -58.49 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.16 -29.55 2.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 76.4 t -81.67 -47.23 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -60.22 -58.17 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.902 HG22 ' HB2' ' A' ' 61' ' ' ALA . 72.4 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.62 110.5 13.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -105.08 124.45 49.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -123.92 115.3 21.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 99.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 m -125.59 157.06 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 50.7 mt-30 -88.42 144.46 26.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.797 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -95.34 101.45 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.798 HD13 HG12 ' A' ' 112' ' ' VAL . 0.7 OUTLIER -65.04 -48.52 73.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.75 176.53 22.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.132 . . . . 0.0 111.036 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.403 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 24.9 ttp -110.62 110.17 20.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.404 HD13 ' HB3' ' A' ' 43' ' ' ASN . 3.1 tt -110.52 127.39 27.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.6 36.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -139.79 141.49 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.36 -45.24 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.38 115.08 46.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -4.24 15.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.8 m -149.97 145.5 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.59 141.73 4.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 mtp -82.61 -40.51 20.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -48.48 -65.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -51.8 -46.06 64.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.45 HD11 ' O ' ' A' ' 98' ' ' ALA . 2.8 tp -49.97 -65.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' A' ' 41' ' ' ILE . 36.9 m-80 -52.95 -52.25 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -44.52 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.01 79.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.459 HD13 ' HA3' ' A' ' 91' ' ' GLY . 69.9 mt -54.84 -63.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -46.88 -37.09 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.404 ' HB3' HD13 ' A' ' 26' ' ' LEU . 3.3 t-20 -64.74 -55.84 17.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 44' ' ' LEU . 9.7 mt -60.64 -38.57 85.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.449 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 17.4 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.586 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 2.1 tttt -66.69 -53.73 30.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.57 -34.99 79.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.12 -24.79 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.586 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 8.4 m0 -74.37 124.07 89.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.17 24.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.97 102.39 4.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.7 m -112.2 173.45 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 70' ' ' GLU . 69.9 m-20 -117.13 143.54 45.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 tpp -106.01 103.88 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -80.9 135.3 35.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.5 t -135.01 103.49 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.902 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -157.86 163.74 37.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t0 41.17 41.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.78 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 49.36 53.41 12.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.538 HG23 ' HG3' ' A' ' 81' ' ' ARG . 53.3 m -142.8 153.44 43.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.8 t -123.08 100.01 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.2 m -113.59 126.4 55.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -88.07 101.87 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 75' ' ' GLU . 6.9 mt -96.23 149.22 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.7 t -71.4 165.79 23.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 13.8 tt0 -82.41 -49.3 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -87.72 47.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.19 168.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -128.46 -48.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.86 -15.64 62.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.2 tt0 -78.25 108.81 11.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.536 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -108.1 94.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -50.84 -49.55 58.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.797 HG21 ' OH ' ' A' ' 22' ' ' TYR . 9.9 t -138.0 147.93 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -128.91 104.83 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.505 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 62.9 m -119.95 144.27 47.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.538 ' HG3' HG23 ' A' ' 64' ' ' THR . 18.6 mtt-85 -120.42 145.2 47.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.78 HG22 ' O ' ' A' ' 63' ' ' ALA . 5.2 m -63.64 -25.13 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.607 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -73.9 -14.88 61.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.607 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 2.3 m-85 -111.02 -3.7 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -72.22 144.05 48.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.2 m -114.08 -30.72 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 88' ' ' MET . 30.0 t80 -178.2 168.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.555 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -165.47 -149.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.67 158.42 9.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.1 t -77.99 138.03 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.459 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -76.13 -167.48 24.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -41.45 -68.83 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.802 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.3 OUTLIER -74.23 150.94 40.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 119' ' ' ALA . 33.3 m -80.23 -1.78 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 1.4 m80 -101.16 22.18 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.57 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 19.4 p -134.3 137.85 44.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.627 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 38.6 t80 -140.01 118.73 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.485 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -130.13 140.42 50.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.849 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.1 p90 -135.75 138.39 42.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.615 ' O ' HD23 ' A' ' 85' ' ' LEU . 39.1 mt -88.09 127.42 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.505 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 23.0 ptm -110.66 156.35 21.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.503 0.192 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 4.4 mt-10 -105.22 131.94 52.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.485 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 9.0 t -109.26 104.29 13.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 79.6 m-70 -84.12 111.78 19.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.798 HG12 HD13 ' A' ' 23' ' ' LEU . 92.5 t -90.86 143.88 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.6 m-85 -146.81 165.17 30.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 23.4 t-105 -117.4 115.15 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 107.967 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.1 m -114.16 140.32 48.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.1 mp0 -126.55 149.25 67.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.5 Cg_endo -74.89 -22.63 13.61 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.067 -0.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 11.9 p30 -137.48 157.59 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -91.78 35.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -85.85 -51.5 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.55 -48.34 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 126' ' ' VAL . 9.2 t -61.85 -60.5 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 34.3 t -54.17 -26.4 27.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 2.9 mm-40 -80.47 -39.07 28.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.15 -12.74 61.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 122' ' ' VAL . 83.0 t -93.79 -56.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 18.2 pt20 -55.22 -48.55 73.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.483 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.914 HG22 ' CB ' ' A' ' 61' ' ' ALA . 75.5 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -124.5 109.77 13.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -105.31 123.9 48.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' HG22 ' A' ' 122' ' ' VAL . 64.9 m-85 -123.98 118.11 26.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.9 107.83 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 56' ' ' VAL . 6.4 m -133.82 157.36 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 67.0 mt-30 -88.39 149.9 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.678 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -100.67 101.92 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.78 HD13 HG12 ' A' ' 112' ' ' VAL . 1.3 mp -66.72 -41.94 87.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.499 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 134.1 162.53 10.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -88.53 133.5 34.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 27' ' ' PRO . 4.2 tt -131.5 127.54 21.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.4 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 151.12 39.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 26.7 m -138.17 169.21 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.44 -55.51 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -89.74 134.6 31.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.745 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.01 -7.76 19.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.772 HG12 ' HB2' ' A' ' 87' ' ' PHE . 19.9 m -136.39 -179.7 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.11 140.32 11.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' LEU . 99.6 mmm -78.94 -45.91 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -40.97 -57.3 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.45 ' CG2' ' HB ' ' A' ' 28' ' ' VAL . 8.5 m -63.47 -33.29 75.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 34' ' ' MET . 3.3 tp -61.79 -71.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -51.45 -52.45 46.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -41.86 -49.72 4.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.036 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.23 -58.36 8.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.543 HG12 HG22 ' A' ' 112' ' ' VAL . 81.8 mt -51.11 -65.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.58 -36.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -61.88 -65.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.499 HD11 ' O ' ' A' ' 24' ' ' GLY . 11.4 mt -49.67 -39.54 36.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 4.4 tttt -64.68 -52.0 59.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.56 -30.62 71.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.86 -19.3 11.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.4 m0 -82.65 126.05 74.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 108.014 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 137.4 21.46 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.57 102.57 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 20' ' ' VAL . 4.8 m -111.61 175.58 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -121.16 143.26 49.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 tpp -105.35 104.39 14.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -82.42 135.02 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.3 t -133.09 111.3 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.914 ' CB ' HG22 ' A' ' 15' ' ' VAL . . . -167.74 169.5 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 t0 39.84 34.48 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.658 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.61 55.67 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 80' ' ' CYS . 37.6 m -148.25 154.66 40.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 65' ' ' VAL . 3.0 t -119.46 99.89 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.447 ' CG2' HG23 ' A' ' 76' ' ' VAL . 43.3 m -111.74 120.28 41.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 77.3 t -85.54 101.58 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.2 mt -94.73 151.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -65.27 168.22 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -87.87 -48.25 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -90.03 50.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.16 146.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -123.47 70.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' VAL . 2.7 pt-20 178.11 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 7.8 tt0 -67.1 68.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.447 HG23 ' CG2' ' A' ' 66' ' ' THR . 0.9 OUTLIER -56.03 109.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mt -71.66 -48.29 48.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.678 HG21 ' OH ' ' A' ' 22' ' ' TYR . 9.5 t -142.27 141.85 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -123.68 114.99 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.65 ' O ' HG23 ' A' ' 64' ' ' THR . 10.8 t -119.39 148.05 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.301 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -121.26 132.43 54.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.658 HG21 ' HB1' ' A' ' 63' ' ' ALA . 4.4 m -57.89 -20.67 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -27.78 42.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -97.34 -23.63 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.835 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -47.57 161.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.7 -43.31 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.772 ' HB2' HG12 ' A' ' 32' ' ' VAL . 65.1 t80 -176.57 174.14 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.601 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 22.9 ptp -168.92 -159.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 150.15 155.54 6.88 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 t -82.66 118.43 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -49.66 178.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' GLY . 28.4 mttt -40.37 -52.01 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.406 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.5 OUTLIER -82.96 159.16 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 24.9 m -84.27 -11.83 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.1 OUTLIER -94.38 15.42 17.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.607 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 11.8 p -124.03 143.94 50.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.475 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 59.0 t80 -154.1 145.78 23.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.429 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -164.13 151.2 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.835 ' HB2' HD21 ' A' ' 85' ' ' LEU . 16.4 p90 -145.67 144.7 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.745 HG21 ' HA ' ' A' ' 31' ' ' PRO . 18.0 mt -88.53 126.37 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.416 ' O ' ' HA ' ' A' ' 108' ' ' PHE . 27.1 ptm -131.53 163.08 28.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 101' ' ' MET . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.478 0.18 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -124.01 137.54 54.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.7 t -111.86 118.81 36.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 108.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 79.5 m-70 -99.13 110.42 23.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.78 HG12 HD13 ' A' ' 23' ' ' LEU . 71.3 t -87.09 142.42 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 90.9 m-85 -146.78 167.48 23.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.41 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 5.1 t-105 -125.91 115.31 19.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.998 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.612 ' SG ' HG11 ' A' ' 122' ' ' VAL . 2.8 m -108.78 159.33 16.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 108.339 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mt-10 -143.92 146.56 34.82 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -13.09 23.76 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.998 -0.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 2.4 p30 -150.39 155.47 39.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.29 26.05 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.95 -60.5 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -67.33 -41.46 85.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.612 HG11 ' SG ' ' A' ' 115' ' ' CYS . 25.0 t -58.13 -32.54 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 17.7 t -87.38 -35.39 18.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 3.2 pt-20 -69.77 -47.01 64.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -57.01 -36.26 70.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 122' ' ' VAL . 76.6 t -75.55 -48.24 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -59.76 -53.57 56.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.615 HG22 ' HB2' ' A' ' 61' ' ' ALA . 69.0 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.74 109.25 18.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -108.98 125.99 52.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.513 ' O ' HG13 ' A' ' 20' ' ' VAL . 69.2 m-85 -128.81 118.65 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 102.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 18' ' ' PHE . 5.8 m -124.21 156.35 31.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 49.1 mt-30 -90.13 146.66 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.4 112.91 25.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.879 HD13 HG12 ' A' ' 112' ' ' VAL . 2.3 mp -77.94 -43.83 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.635 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 137.05 160.14 8.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 25' ' ' MET . 13.9 tmm? -87.99 131.83 34.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 tt -127.64 127.64 24.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.21 34.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.58 171.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.56 -60.7 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.28 133.86 77.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.2 Cg_endo -74.97 -12.08 21.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.943 HG12 ' HB2' ' A' ' 87' ' ' PHE . 15.9 m -137.4 -171.4 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.37 156.8 27.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.482 ' HE2' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -98.71 -45.92 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.996 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.6 -59.7 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 m -54.99 -42.65 72.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.482 HD22 ' HE2' ' A' ' 34' ' ' MET . 5.0 tp -52.98 -68.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 37.2 m-80 -52.71 -45.51 66.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -46.38 -41.89 14.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.48 -59.12 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.4 mt -47.08 -57.3 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -44.99 -44.2 9.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.29 -59.18 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 24' ' ' GLY . 12.8 mt -54.36 -43.79 71.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.44 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 5.7 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.599 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 18.0 tttm -73.82 -51.11 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.04 -36.4 83.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -48.98 -24.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.599 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.1 m0 -75.94 125.23 88.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.15 19.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 102.3 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 m -111.48 167.3 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -111.71 138.79 47.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.0 tpp -101.55 103.73 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 24.0 t-20 -80.71 137.81 36.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.514 HG11 ' O ' ' A' ' 125' ' ' ALA . 73.3 t -135.48 114.29 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.615 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -172.46 169.97 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t0 40.14 37.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.84 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 50.42 51.42 16.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 80' ' ' CYS . 51.8 m -145.46 154.25 42.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.6 t -121.37 102.54 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.8 m -111.18 129.63 55.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.45 104.58 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.8 mt -100.13 153.31 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -68.17 173.27 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -79.86 -42.38 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -87.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -50.99 149.99 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -109.18 -18.65 13.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -92.4 -17.4 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.79 105.12 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -103.58 98.54 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.05 -52.14 66.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.34 148.62 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -134.34 96.82 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.436 ' O ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -104.87 150.41 24.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 108.286 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -122.58 133.85 54.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 63' ' ' ALA . 4.4 m -59.44 -16.24 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -21.12 34.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -9.88 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -63.23 165.88 6.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.61 -43.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.943 ' HB2' HG12 ' A' ' 32' ' ' VAL . 56.9 t80 -173.48 172.82 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.593 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 16.8 ptp -169.9 -159.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 145.24 165.25 11.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 96' ' ' THR . 85.2 t -85.34 124.36 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.17 -175.08 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 70.7 mttt -43.6 -51.73 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.82 161.52 23.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 119' ' ' ALA . 22.8 m -85.2 -12.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -97.2 20.46 11.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 90' ' ' VAL . 1.9 p -126.03 135.9 52.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.452 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 54.7 t80 -145.69 134.12 21.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 111' ' ' HIS . . . -152.04 156.1 39.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.851 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.2 p90 -148.22 149.22 31.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.469 HG21 ' HA ' ' A' ' 31' ' ' PRO . 40.1 mt -92.45 126.8 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.4 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 24.8 ptm -115.74 165.04 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.479 0.18 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -106.1 137.11 44.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 51.0 t -115.08 110.2 19.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 60.7 m-70 -91.38 119.09 31.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.879 HG12 HD13 ' A' ' 23' ' ' LEU . 74.2 t -95.84 143.41 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 84.2 m-85 -146.67 167.79 22.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 17.8 t-105 -122.38 116.68 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 5.3 m -112.74 139.22 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mp0 -124.02 143.16 41.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -42.24 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.002 -0.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 1.7 p30 -120.33 157.29 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -89.59 38.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -83.78 -56.16 3.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -58.62 -50.0 75.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 126' ' ' VAL . 34.8 t -58.61 -69.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 23.0 t -45.99 -25.23 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 7.4 mm-40 -81.37 -43.59 18.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.514 ' O ' HG11 ' A' ' 60' ' ' VAL . . . -67.3 -12.53 60.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.535 HG12 ' CE ' ' A' ' 88' ' ' MET . 63.5 t -96.07 -54.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.505 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 15.8 pt20 -54.97 -48.91 72.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.891 ' HB ' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 8.1 mt-30 -127.73 113.76 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -93.98 120.77 34.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 95.9 m-85 -119.58 127.83 53.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.08 102.32 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 115' ' ' CYS . 29.5 m -124.74 163.73 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 36.6 mt-30 -91.94 145.24 24.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.507 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -96.08 100.99 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.786 HD13 HG12 ' A' ' 112' ' ' VAL . 1.1 mp -63.12 -48.45 78.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 147.27 162.1 9.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 18.6 ttp -94.58 115.85 28.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 0.738 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 27' ' ' PRO . 4.0 tt -116.61 127.32 26.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.444 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.02 157.0 42.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.9 m -138.4 -176.89 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.72 -59.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -82.08 136.57 46.89 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.1 Cg_endo -75.03 -19.21 17.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 m -130.3 166.46 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.91 139.29 6.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -44.57 13.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.85 -62.64 1.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -52.08 -42.56 63.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.37 -64.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -49.5 -57.01 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.3 -48.69 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.55 -58.55 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -48.37 -69.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -40.39 -40.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -53.92 -61.16 2.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.477 HD12 HG21 ' A' ' 112' ' ' VAL . 13.5 mt -52.49 -60.26 3.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 19.9 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 5.9 tttt -76.16 -53.55 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.58 -31.82 72.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.29 -22.13 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 8.3 m0 -78.37 123.4 85.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.07 22.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.564 1.823 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.54 101.89 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' VAL . 16.1 m -110.5 169.15 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 60.1 m-20 -116.51 141.36 48.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.1 tpp -105.2 102.05 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' OD1' HG21 ' A' ' 15' ' ' VAL . 20.0 t-20 -86.1 124.99 33.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.1 t -118.86 95.23 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.891 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . . . -142.14 166.67 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' ALA . 2.3 t70 37.82 44.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.904 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 45.97 52.1 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 80' ' ' CYS . 34.7 m -144.96 154.98 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' CYS . 4.0 t -118.08 103.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.6 m -113.76 117.51 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 44.5 t -84.55 107.97 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mt -102.63 152.64 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 t -65.87 169.96 5.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.79 -33.5 58.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -88.18 -93.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.89 151.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.85 -13.52 14.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -98.27 -20.44 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.33 101.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.505 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -99.47 93.56 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mt -52.59 -49.58 64.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.507 HG21 ' OH ' ' A' ' 22' ' ' TYR . 9.6 t -137.02 146.42 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -130.11 94.91 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.476 ' O ' HG23 ' A' ' 64' ' ' THR . 68.9 m -103.61 149.91 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.261 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -124.48 135.81 53.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.904 HG22 ' O ' ' A' ' 63' ' ' ALA . 6.4 m -61.15 -16.89 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -17.86 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -111.81 -2.68 15.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.844 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -67.05 162.21 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.7 m -126.58 -42.32 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 88' ' ' MET . 42.0 t80 -175.23 172.46 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.53 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 18.2 ptp -171.33 -161.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.19 -170.49 28.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 96' ' ' THR . 65.3 t -122.62 114.26 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.53 -162.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -40.91 -88.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -50.82 144.66 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 29.3 m -83.59 3.92 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.2 m80 -103.37 19.25 20.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.59 ' O ' HG13 ' A' ' 90' ' ' VAL . 16.6 p -126.7 136.74 52.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 50.3 t80 -143.52 130.5 20.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.703 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -149.01 148.91 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.844 ' HB2' HD21 ' A' ' 85' ' ' LEU . 39.9 p90 -142.24 143.37 32.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.436 HG21 ' HA ' ' A' ' 31' ' ' PRO . 36.4 mt -89.21 117.69 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.417 ' SD ' ' NE2' ' A' ' 111' ' ' HIS . 26.8 ptm -107.86 165.3 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 101' ' ' MET . 26.7 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.5 0.19 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -137.91 121.5 17.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.703 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 47.5 t -95.71 108.19 20.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 108.275 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 68.3 m-70 -89.1 103.83 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.786 HG12 HD13 ' A' ' 23' ' ' LEU . 93.4 t -81.81 141.76 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.0 m-85 -145.94 167.2 23.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -119.69 112.72 19.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.981 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.591 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.1 m -106.38 144.74 32.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.3 mp0 -132.19 147.37 65.52 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.3 Cg_endo -75.05 -12.93 24.01 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.024 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 118' ' ' ASN . 0.0 OUTLIER -150.96 157.68 43.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.459 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -88.94 41.69 1.04 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.91 -44.66 9.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -76.4 -43.28 41.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.473 HG11 ' SG ' ' A' ' 115' ' ' CYS . 2.5 t -59.87 -62.11 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.6 t -50.07 -40.08 44.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.28 -56.1 11.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.85 -37.99 15.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 122' ' ' VAL . 88.0 t -72.74 -48.12 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -58.01 -51.96 67.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.738 HG22 ' HB2' ' A' ' 61' ' ' ALA . 92.3 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -112.81 109.4 18.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -109.57 122.3 47.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -122.52 117.23 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -65.17 106.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 m -131.59 159.39 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.1 mt-30 -88.76 143.77 26.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.741 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -96.03 107.48 19.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.735 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -71.84 -43.38 65.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.587 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 142.21 155.95 6.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 12.5 ttp -93.07 108.49 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -110.28 139.31 21.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.97 166.17 29.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 100' ' ' ILE . 5.7 m -150.78 129.62 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -50.36 68.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.47 120.76 71.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 18.2 Cg_endo -74.96 -9.62 20.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.83 139.8 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.47 139.53 3.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -44.89 20.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 111.062 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.99 -59.94 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 m -56.34 -44.61 80.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.54 -60.66 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -58.41 -48.21 81.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -43.78 -43.97 6.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.09 -52.35 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.436 HG12 HG22 ' A' ' 112' ' ' VAL . 68.3 mt -55.29 -62.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -42.98 -42.42 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.415 ' ND2' HD11 ' A' ' 26' ' ' LEU . 44.8 t-20 -56.26 -60.05 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.587 HD11 ' O ' ' A' ' 24' ' ' GLY . 14.9 mt -54.79 -49.32 71.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 23.2 tttm -69.41 -49.06 58.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.95 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.38 -25.29 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.592 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -72.99 122.87 88.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 138.55 23.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.03 102.62 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 m -112.56 179.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -123.37 150.73 43.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.8 ttm -112.12 104.65 12.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -80.7 136.25 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.5 t -135.94 105.51 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.738 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -161.56 167.84 24.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 9.6 t0 40.26 34.42 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.605 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 55.18 55.28 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.467 HG23 ' CG ' ' A' ' 81' ' ' ARG . 17.6 m -145.19 156.23 43.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.463 HG11 ' CE2' ' A' ' 99' ' ' PHE . 2.8 t -123.93 99.75 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.427 HG23 HG23 ' A' ' 76' ' ' VAL . 62.1 m -113.75 129.4 56.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.434 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 57.7 t -90.11 103.31 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 75' ' ' GLU . 7.3 mt -98.23 148.18 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.4 t -61.03 170.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -77.98 -41.72 35.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -89.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -45.89 155.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.38 -16.32 12.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.73 -26.3 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.0 tt0 -64.79 110.07 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.546 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -108.32 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mt -53.09 -55.51 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.741 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.4 t -126.95 148.36 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -129.14 97.17 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.443 ' SG ' ' HE3' ' A' ' 101' ' ' MET . 99.1 m -115.84 150.29 37.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.467 ' CG ' HG23 ' A' ' 64' ' ' THR . 70.2 mtt180 -121.94 -174.97 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.605 HG21 ' HB1' ' A' ' 63' ' ' ALA . 10.3 m -97.26 -33.77 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -67.11 -16.14 64.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 102' ' ' ASP . 18.7 m-85 -106.99 -9.39 16.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -68.87 142.48 54.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.41 -32.26 5.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 88' ' ' MET . 27.3 t80 -177.84 168.88 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.488 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -163.05 -150.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.7 159.24 10.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 96' ' ' THR . 16.2 t -80.11 138.46 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.93 -168.55 4.4 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -45.01 -62.37 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 0.803 . . . . 0.0 109.371 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.09 162.68 27.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.8 m -84.66 -10.02 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 0.1 OUTLIER -96.95 15.64 21.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 90' ' ' VAL . 8.8 p -123.81 136.68 54.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.44 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 55.3 t80 -145.45 147.27 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.51 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -163.95 144.91 8.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.858 ' HB2' HD21 ' A' ' 85' ' ' LEU . 30.6 p90 -136.36 139.93 42.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.6 HD13 HG21 ' A' ' 28' ' ' VAL . 34.8 mt -87.86 125.34 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.443 ' HE3' ' SG ' ' A' ' 80' ' ' CYS . 2.4 ppp? -113.2 165.79 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 84' ' ' PHE . 1.5 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.501 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 26.2 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.513 0.197 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.444 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 16.4 mm-40 -132.9 133.53 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.479 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 7.1 t -105.81 125.03 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 59.4 m-70 -103.44 102.36 12.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.735 HG12 HD13 ' A' ' 23' ' ' LEU . 72.1 t -80.13 142.2 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 80.8 m-85 -146.88 166.82 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.409 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 15.0 t-105 -120.67 113.19 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.3 m -110.74 142.24 42.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.8 mt-10 -127.26 143.38 46.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.99 -38.59 1.73 Allowed 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.993 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -125.56 150.75 47.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.44 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -88.24 44.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.59 -48.41 8.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.19 -47.33 84.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.8 -70.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 t -40.82 -36.05 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.06 -53.29 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.43 64.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.95 -52.53 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -62.15 -47.16 85.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.894 HG22 ' HB2' ' A' ' 61' ' ' ALA . 78.9 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -118.35 109.47 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.635 ' HD3' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -105.65 129.79 53.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.401 ' CG ' HG22 ' A' ' 122' ' ' VAL . 66.9 m-85 -131.3 121.04 24.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' NH1' ' OE2' ' A' ' 70' ' ' GLU . 3.6 ttt180 -68.74 107.4 3.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.408 HG11 ' SG ' ' A' ' 115' ' ' CYS . 4.3 m -132.41 158.97 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' LYS . 59.8 mt-30 -88.66 146.62 24.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.667 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -99.28 105.78 17.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.8 HD13 HG12 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -71.66 -47.29 55.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.2 178.33 21.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.53 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 26.5 ttp -109.05 119.31 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.793 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 27' ' ' PRO . 2.4 tt -117.59 127.95 26.33 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.416 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.02 153.67 41.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 m -144.36 153.73 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.65 -46.2 9.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.2 118.33 71.88 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -4.74 15.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.9 m -144.52 156.77 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.05 148.33 7.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -44.35 9.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 0.804 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -66.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -51.84 -46.44 64.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.43 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 ' O ' ' A' ' 89' ' ' GLY . 2.6 tp -49.9 -53.48 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -67.35 -55.96 11.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.11 -40.47 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.98 -48.97 77.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.2 -62.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -40.81 -38.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.87 -63.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -54.75 -36.4 64.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 2.2 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.588 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.1 tttm -67.11 -50.75 60.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -67.71 -31.32 71.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -19.66 18.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.588 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.9 m0 -80.6 124.44 82.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.025 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.42 24.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.61 102.25 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.4 m -110.35 175.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -118.67 143.94 46.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.9 tpp -107.6 102.57 11.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -80.86 136.94 36.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.4 t -135.43 103.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.894 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -157.0 166.43 33.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ALA . 2.0 t0 40.28 36.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.767 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.15 55.75 8.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 80' ' ' CYS . 45.3 m -145.89 154.93 42.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.8 t -120.14 99.64 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.8 m -112.2 119.37 38.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.44 100.6 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 75' ' ' GLU . 6.4 mt -94.91 143.68 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.672 ' HA ' HD11 ' A' ' 77' ' ' LEU . 31.2 t -59.91 161.81 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' OE2' ' NH1' ' A' ' 19' ' ' ARG . 8.2 tt0 -74.38 -51.33 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -65.41 -85.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -60.78 151.18 30.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -110.46 -26.21 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.98 -9.08 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.785 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.3 tm-20 -81.71 138.33 35.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.34 99.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 69' ' ' SER . 6.7 mt -61.86 -52.08 65.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.667 HG21 ' OH ' ' A' ' 22' ' ' TYR . 7.2 t -145.52 144.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -124.28 112.84 17.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.591 ' O ' HG23 ' A' ' 64' ' ' THR . 3.6 t -119.89 149.57 41.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 108.285 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -124.55 133.57 53.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.767 HG21 ' HB1' ' A' ' 63' ' ' ALA . 7.3 m -58.07 -19.65 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.619 ' CZ ' ' CE2' ' A' ' 84' ' ' PHE . 1.9 ppt_? -79.91 -15.56 57.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.619 ' CE2' ' CZ ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -111.05 -3.5 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.865 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.81 148.24 42.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -114.74 -32.3 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.6 ' CE1' ' O ' ' A' ' 88' ' ' MET . 38.5 t80 -176.89 172.38 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.6 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -163.31 -149.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.577 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 126.51 155.16 8.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 96' ' ' THR . 84.9 t -77.75 140.98 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.31 -169.79 10.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -42.9 -62.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.85 162.25 27.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.0 m -84.7 -12.78 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -93.83 17.72 11.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.797 ' O ' HG13 ' A' ' 90' ' ' VAL . 5.1 p -126.25 133.85 51.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.604 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 49.0 t80 -138.03 139.31 39.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 111' ' ' HIS . . . -150.82 148.04 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.865 ' HB2' HD21 ' A' ' 85' ' ' LEU . 9.4 p90 -141.69 137.12 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.753 ' O ' HD23 ' A' ' 85' ' ' LEU . 61.0 mt -88.1 125.16 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.419 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 24.1 ptm -117.21 152.06 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.532 0.206 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -108.9 138.32 45.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 t -116.94 107.3 14.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 89.5 m-70 -89.76 121.94 32.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.8 HG12 HD13 ' A' ' 23' ' ' LEU . 87.1 t -98.46 139.81 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 89.3 m-85 -146.1 164.43 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.548 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 5.5 t-105 -124.31 119.3 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.408 ' SG ' HG11 ' A' ' 20' ' ' VAL . 3.2 m -115.22 151.74 33.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.513 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.3 mt-10 -129.86 142.56 45.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -50.07 0.2 Allowed 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.044 -0.036 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -113.43 149.26 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.604 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -88.52 42.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 124' ' ' GLU . . . -79.2 -56.51 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.32 -54.66 37.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 126' ' ' VAL . 55.1 t -51.17 -29.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.3 t -89.83 -28.43 19.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.526 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 2.8 pt-20 -76.92 -47.69 20.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.526 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -55.96 -35.33 66.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 122' ' ' VAL . 63.3 t -72.83 -52.79 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -55.71 -55.12 36.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 1.105 HG22 ' HB2' ' A' ' 61' ' ' ALA . 77.2 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -123.5 109.96 14.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -105.86 127.35 53.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -130.23 115.61 17.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 55' ' ' SER . 1.6 ttt180 -65.1 99.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' VAL . 26.1 m -123.24 156.6 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.431 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.2 mt-30 -88.75 139.45 30.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.571 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -91.9 103.0 15.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.825 HD13 HG12 ' A' ' 112' ' ' VAL . 1.1 mp -66.78 -47.96 70.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.522 ' C ' HD11 ' A' ' 44' ' ' LEU . . . 149.62 179.33 25.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 11.3 ttp -112.52 116.74 30.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tt -118.26 127.47 26.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.25 33.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.8 m -136.56 146.14 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.06 -45.55 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 115.51 46.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.39 19.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 87' ' ' PHE . 20.7 m -146.19 154.94 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.17 153.79 8.73 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mtp -97.44 -45.47 6.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 111.037 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.56 -66.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -53.35 -48.45 68.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.705 HD21 ' O ' ' A' ' 89' ' ' GLY . 2.7 tp -44.98 -49.78 11.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -65.7 -56.38 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.6 t -41.84 -44.81 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.59 75.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.37 -62.19 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -39.48 -32.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -70.86 -66.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.522 HD11 ' C ' ' A' ' 24' ' ' GLY . 8.5 mt -52.27 -25.49 9.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.452 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 11.2 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 10.6 tttm -67.64 -52.92 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.37 -41.33 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -45.11 -26.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.605 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -73.46 122.06 86.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.003 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' O ' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.97 132.14 15.12 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -67.25 102.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 54' ' ' PRO . 11.4 m -113.66 171.44 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -115.1 147.68 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.9 ttm -109.82 101.03 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 18.8 t-20 -81.14 131.4 35.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.494 HG22 HG22 ' A' ' 65' ' ' VAL . 48.4 t -135.24 106.39 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 1.105 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -138.58 147.41 42.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.99 -73.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.748 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -179.31 35.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 80' ' ' CYS . 25.9 m -128.92 155.12 45.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.494 HG22 HG22 ' A' ' 60' ' ' VAL . 4.3 t -119.32 101.47 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.724 HG22 HG23 ' A' ' 76' ' ' VAL . 27.7 m -108.25 119.22 38.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' LEU . 56.2 t -84.4 105.92 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 73' ' ' GLU . 36.6 mt -98.72 156.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -82.81 170.08 15.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -84.61 -37.88 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -73.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -107.45 -176.7 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 68' ' ' ILE . 43.8 mm-40 -109.71 -49.34 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.62 -19.34 25.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.33 71.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.724 HG23 HG22 ' A' ' 66' ' ' THR . 2.2 p -72.21 104.36 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' VAL . 5.3 mt -61.8 -53.35 57.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.571 HG21 ' OH ' ' A' ' 22' ' ' TYR . 5.1 t -138.85 153.74 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -134.16 107.11 7.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.641 ' O ' HG23 ' A' ' 64' ' ' THR . 2.4 t -112.04 145.96 38.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -123.49 136.9 54.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.748 HG21 ' HB1' ' A' ' 63' ' ' ALA . 16.0 m -59.87 -22.93 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 84' ' ' PHE . 0.5 OUTLIER -77.72 -24.98 48.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -103.46 3.3 34.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.909 HD23 ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -81.97 151.77 27.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 m -115.8 -34.54 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 88' ' ' MET . 39.2 t80 -178.26 172.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.605 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -162.43 -149.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.705 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 126.49 153.0 8.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 96' ' ' THR . 69.5 t -78.12 147.22 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.36 -165.55 36.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -40.41 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.53 160.65 28.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' HG11 ' A' ' 90' ' ' VAL . 32.7 m -83.67 -9.76 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 1.5 m80 -89.07 11.22 19.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.556 ' O ' HG13 ' A' ' 90' ' ' VAL . 4.4 p -125.02 135.27 52.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -139.01 143.72 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.618 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -155.97 151.48 27.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.756 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.1 p90 -145.38 139.87 27.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.909 ' O ' HD23 ' A' ' 85' ' ' LEU . 43.4 mt -88.07 128.58 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.481 ' HE3' ' HB2' ' A' ' 101' ' ' MET . 27.3 ptm -128.58 165.09 21.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.478 0.18 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.414 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 25.2 mm-40 -121.59 145.9 47.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.618 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 48.6 t -121.83 113.06 19.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 67.4 m-70 -92.28 110.28 21.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.825 HG12 HD13 ' A' ' 23' ' ' LEU . 88.5 t -86.48 141.55 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 93.9 m-85 -146.98 167.3 24.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.506 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 10.7 t-105 -123.06 119.8 31.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.2 m -115.61 148.01 40.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.3 mt-10 -132.32 145.43 57.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.0 Cg_endo -75.05 -33.82 3.81 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.974 0.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 118' ' ' ASN . 0.0 OUTLIER -128.82 153.39 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -90.38 40.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -90.33 -29.67 17.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -84.63 -34.1 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.242 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.35 -62.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 t -49.88 -37.58 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 9.1 mm-40 -64.3 -59.24 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.68 -30.48 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.494 HG22 ' CG2' ' A' ' 65' ' ' VAL . 97.1 t -82.35 -52.25 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.539 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 2.8 mm-40 -56.91 -54.04 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.855 HG22 ' HB2' ' A' ' 61' ' ' ALA . 80.7 t . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -125.43 110.6 14.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -102.4 131.75 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -130.39 113.98 15.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -65.63 108.68 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 115' ' ' CYS . 11.7 m -134.34 154.95 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 50' ' ' LYS . 59.7 mt-30 -88.44 143.43 26.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.621 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -94.11 106.16 18.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -73.84 -44.71 54.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.42 162.4 9.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -90.01 131.87 35.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tt -130.05 127.53 22.69 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.52 38.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.87 147.11 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.01 -50.51 14.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 115.38 55.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.602 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.0 -7.79 19.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.449 1.763 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 87' ' ' PHE . 31.2 m -138.88 147.96 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.75 165.09 11.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.32 -40.34 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.58 -64.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -52.57 -48.44 66.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 98' ' ' ALA . 2.3 tp -45.75 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 58.4 m-80 -48.79 -53.38 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.54 -53.87 4.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.29 -54.19 39.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.87 -56.5 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.39 -49.24 61.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -54.33 -48.91 70.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' MET . 13.3 mt -64.71 -50.86 65.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 19.3 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -62.28 -48.47 79.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -65.79 -38.74 89.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.17 -23.12 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.532 ' CH2' HD21 ' A' ' 23' ' ' LEU . 15.3 m0 -81.05 123.85 81.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' O ' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.96 130.05 12.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.39 102.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 54' ' ' PRO . 5.8 m -111.11 176.68 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -120.91 151.65 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.6 ttm -113.65 105.67 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -82.89 137.35 34.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.4 t -135.34 109.41 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.855 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -163.98 168.57 19.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' ALA . 4.8 t0 39.83 36.53 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.612 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.25 55.09 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 80' ' ' CYS . 2.6 m -145.2 160.54 41.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.565 HG21 HG13 ' A' ' 126' ' ' VAL . 3.6 t -129.13 99.67 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.623 HG23 HG13 ' A' ' 76' ' ' VAL . 18.8 m -114.06 125.9 54.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.418 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 59.9 t -86.56 105.64 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.87 144.06 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.497 ' HA ' HD11 ' A' ' 77' ' ' LEU . 4.2 t -60.3 170.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -92.51 -47.54 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.3 50.27 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 167.13 98.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.73 56.61 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.32 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.85 116.56 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.623 HG13 HG23 ' A' ' 66' ' ' THR . 41.0 t -95.39 103.33 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 69' ' ' SER . 6.1 mt -65.55 -60.53 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.621 HG21 ' OH ' ' A' ' 22' ' ' TYR . 2.7 t -126.16 143.99 37.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -119.61 97.27 5.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' VAL . 72.4 m -115.84 150.47 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.569 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 72.8 mtt-85 -123.88 -174.59 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.612 HG21 ' HB1' ' A' ' 63' ' ' ALA . 12.4 m -99.08 -31.34 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -71.48 -16.97 62.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 20.2 m-85 -107.45 -3.69 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.846 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -74.54 147.55 41.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -114.27 -38.57 4.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 88' ' ' MET . 38.6 t80 -178.17 171.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.529 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 10.2 ptp -170.58 -157.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.21 -175.13 26.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 119' ' ' ALA . 77.0 t -103.71 119.73 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -49.52 178.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.434 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 2.7 mttm -40.43 -51.43 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -81.98 161.91 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 119' ' ' ALA . 32.6 m -83.95 -8.68 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.402 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -102.7 25.53 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.634 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 p -130.88 127.54 38.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.423 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 49.7 t80 -137.49 127.42 25.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.441 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -143.87 151.69 40.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.846 ' HB2' HD21 ' A' ' 85' ' ' LEU . 8.2 p90 -145.37 145.19 31.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.602 HG21 ' HA ' ' A' ' 31' ' ' PRO . 15.4 mt -90.8 125.59 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 19.0 ptm -110.54 164.02 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.446 0.165 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -104.03 133.84 48.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.4 t -112.51 110.94 21.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 51.2 m-70 -92.37 117.45 29.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 23' ' ' LEU . 78.7 t -95.23 143.93 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.5 m-85 -146.85 165.21 30.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.402 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 8.0 t-105 -117.88 112.69 20.69 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.479 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.3 m -105.7 146.29 29.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.9 mt-10 -132.06 142.73 46.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -74.98 -44.51 0.55 Allowed 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.044 -0.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 11.9 p30 -116.74 157.07 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.369 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -90.59 38.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -88.72 -40.68 13.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -73.15 -40.87 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.6 t -64.36 -65.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 5.8 t -46.72 -39.6 11.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.08 -58.6 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.359 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.01 -32.84 48.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.565 HG13 HG21 ' A' ' 65' ' ' VAL . 79.4 t -77.9 -47.86 24.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 123' ' ' SER . 6.8 mm-40 -58.93 -54.13 50.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.844 HG22 ' CB ' ' A' ' 61' ' ' ALA . 94.7 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 18.8 mt-30 -123.04 110.03 14.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -103.01 125.58 49.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 79.9 m-85 -125.5 112.98 16.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.3 100.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' VAL . 17.4 m -125.45 158.22 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.57 145.79 25.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.635 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -96.69 102.38 14.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -66.65 -47.69 71.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 141.66 165.03 10.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -93.25 133.38 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 0.803 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tt -134.63 127.39 18.55 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.22 36.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.97 163.54 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.03 -42.72 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.2 mtt85 -94.24 129.32 37.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.088 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -9.26 20.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 87' ' ' PHE . 11.4 m -139.66 178.59 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.83 145.08 17.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.81 -45.58 11.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -43.92 -61.61 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -54.88 -39.96 69.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.44 -61.09 2.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -53.42 -53.02 57.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.71 -46.88 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.7 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' A' ' 98' ' ' ALA . 90.9 mt -48.3 -65.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -40.91 -43.78 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -52.7 -60.84 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.407 HD11 ' O ' ' A' ' 24' ' ' GLY . 12.9 mt -52.43 -58.08 7.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 10.4 tttm -75.15 -51.07 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -66.04 -31.56 72.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -30.58 24.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 8.8 m0 -68.59 128.63 92.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 107.971 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.8 22.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.46 102.35 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' VAL . 8.4 m -112.36 168.79 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -112.92 141.91 46.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 tpp -105.37 107.11 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -82.84 136.91 34.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.8 t -135.41 109.88 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.844 ' CB ' HG22 ' A' ' 15' ' ' VAL . . . -167.54 169.91 11.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t70 40.36 32.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.699 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 54.47 53.53 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 80' ' ' CYS . 49.9 m -146.28 153.91 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.82 104.61 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.446 ' CG2' HG23 ' A' ' 76' ' ' VAL . 94.4 m -116.64 119.99 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' VAL . 57.7 t -85.52 107.95 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.409 HG21 ' HA ' ' A' ' 73' ' ' GLU . 16.6 mt -101.99 156.13 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.3 t -77.24 167.36 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 7.4 tt0 -83.1 -49.0 9.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 46.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 167.61 150.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HA ' HG21 ' A' ' 68' ' ' ILE . 5.8 pt-20 -113.67 -28.53 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -90.9 17.33 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -108.39 77.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG23 ' CG2' ' A' ' 66' ' ' THR . 1.3 p -76.41 96.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.74 -42.75 99.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.635 HG21 ' OH ' ' A' ' 22' ' ' TYR . 5.4 t -145.33 143.08 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -128.12 114.45 17.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 64' ' ' THR . 0.5 OUTLIER -125.05 150.16 47.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.437 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 16.2 mtt85 -123.29 138.4 54.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.699 HG21 ' HB1' ' A' ' 63' ' ' ALA . 5.3 m -61.48 -14.8 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.625 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -82.95 -16.06 48.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -111.47 -15.54 13.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.862 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -58.24 153.44 15.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.81 -36.32 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 88' ' ' MET . 44.2 t80 -178.16 174.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.598 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.41 -148.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.93 154.21 7.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.0 t -79.39 126.43 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.5 -176.91 0.32 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.55 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.68 166.41 15.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 30.1 m -86.07 -12.3 11.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.6 OUTLIER -97.93 27.3 4.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.613 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.6 p -130.07 143.67 50.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -150.79 137.8 19.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.427 ' HB3' HD11 ' A' ' 41' ' ' ILE . . . -153.75 142.72 21.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.862 ' HB2' HD21 ' A' ' 85' ' ' LEU . 9.3 p90 -136.51 138.34 41.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.667 ' O ' HD23 ' A' ' 85' ' ' LEU . 26.5 mt -87.92 131.36 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.509 ' SD ' ' CD2' ' A' ' 111' ' ' HIS . 27.9 ptm -126.75 164.93 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.483 0.182 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -108.9 140.53 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.7 t -120.68 104.14 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.268 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 79.9 m-70 -84.47 110.85 18.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.793 HG12 HD13 ' A' ' 23' ' ' LEU . 96.9 t -89.34 142.67 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 93.2 m-85 -146.82 167.48 23.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -121.45 115.58 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.029 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.5 m -111.82 149.05 32.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 16.4 mt-10 -135.94 151.13 73.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.577 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.2 Cg_endo -75.04 -9.66 24.13 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.956 0.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 3.0 p30 -155.61 153.96 30.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.1 42.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.82 -39.87 12.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -76.47 -40.74 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 126' ' ' VAL . 13.3 t -63.85 -66.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.6 t -47.02 -37.61 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.2 -56.08 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.06 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 122' ' ' VAL . 96.7 t -73.48 -50.45 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.38 -54.02 51.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.66 HG21 ' ND2' ' A' ' 59' ' ' ASN . 1.5 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -104.35 109.32 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -108.22 127.2 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -127.14 116.36 20.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 101.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.634 HG12 ' HA ' ' A' ' 115' ' ' CYS . 31.5 m -126.78 156.26 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 51.9 mt-30 -88.51 140.31 29.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.591 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -91.45 101.01 13.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.729 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -64.0 -45.83 87.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.628 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 143.49 158.92 7.75 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 15.7 ttp -90.92 129.18 36.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 27' ' ' PRO . 1.4 tt -130.17 127.91 22.67 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.439 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 161.17 39.24 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.5 m -142.13 165.71 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -89.2 -52.49 5.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -86.02 143.94 38.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.55 16.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.949 HG12 ' HB2' ' A' ' 87' ' ' PHE . 34.0 m -137.3 -177.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.99 130.97 5.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -45.8 41.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.09 -61.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -55.11 -49.08 72.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.3 tp -46.4 -63.38 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -53.38 -54.9 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.35 -41.05 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -62.17 -59.18 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -49.59 -66.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -40.94 -41.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -52.97 -62.02 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.628 HD11 ' O ' ' A' ' 24' ' ' GLY . 12.3 mt -53.35 -57.45 10.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.3 tttm -68.5 -53.21 24.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.27 -32.24 73.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -20.71 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.592 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -78.73 122.85 85.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.98 26.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 102.01 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 m -110.04 179.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -125.38 141.14 52.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.435 ' SD ' HG22 ' A' ' 67' ' ' VAL . 8.7 tpp -107.88 101.42 10.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.66 ' ND2' HG21 ' A' ' 15' ' ' VAL . 38.0 t-20 -80.9 142.24 33.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.406 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 90.8 t -135.4 101.24 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.567 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -151.2 165.16 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 41.29 39.14 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.8 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 50.99 52.28 15.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 80' ' ' CYS . 4.8 m -142.89 159.17 42.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.7 t -123.45 102.05 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.456 HG23 HG13 ' A' ' 76' ' ' VAL . 22.9 m -114.06 119.78 38.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.435 HG22 ' SD ' ' A' ' 58' ' ' MET . 60.7 t -85.29 103.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 mt -96.78 143.99 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.3 t -67.44 149.88 49.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.93 -57.33 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 54.82 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.9 164.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.8 -43.5 1.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.59 -9.26 58.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.17 105.56 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 HG23 ' A' ' 66' ' ' THR . 83.8 t -98.41 104.11 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.34 -61.4 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.591 HG21 ' OH ' ' A' ' 22' ' ' TYR . 4.1 t -131.4 139.61 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -120.42 96.27 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.492 ' O ' HG23 ' A' ' 64' ' ' THR . 80.0 m -109.45 148.94 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -126.06 154.15 43.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 63' ' ' ALA . 10.6 m -73.25 -22.09 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -77.88 -15.47 59.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.624 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 1.1 m-85 -110.66 -20.9 12.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.873 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -51.91 165.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.6 m -131.95 -44.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.949 ' HB2' HG12 ' A' ' 32' ' ' VAL . 59.4 t80 -173.8 171.84 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.519 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 22.4 ptp -166.48 -160.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 148.67 156.42 7.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 96' ' ' THR . 71.7 t -84.28 119.48 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.51 -174.34 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -40.63 -64.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.66 161.05 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' ALA . 24.0 m -86.0 -9.5 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.3 m80 -96.06 18.98 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 90' ' ' VAL . 3.0 p -125.25 136.85 53.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.438 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 73.1 t80 -148.84 136.08 20.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -155.44 143.69 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.873 ' HB2' HD21 ' A' ' 85' ' ' LEU . 46.3 p90 -138.01 144.17 40.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 87' ' ' PHE . 20.2 mt -89.48 122.62 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 108' ' ' PHE . 2.4 ppp? -115.38 165.94 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 101' ' ' MET . 18.0 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.449 0.166 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -126.07 136.6 53.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.506 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 53.4 t -109.72 130.35 55.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.333 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 73.7 m-70 -112.97 105.87 14.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.729 HG12 HD13 ' A' ' 23' ' ' LEU . 88.6 t -83.87 142.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.3 m-85 -146.76 167.74 23.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.458 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 16.2 t-105 -119.53 111.02 17.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.634 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.8 m -103.69 149.48 24.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 108.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.518 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 22.1 mt-10 -137.55 147.76 58.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.56 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.2 Cg_endo -75.03 -9.3 24.03 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.951 -2.52 . . . . 0.0 110.997 -0.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.26 161.98 41.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.456 ' HB3' HG22 ' A' ' 90' ' ' VAL . . . -92.13 28.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -77.76 -43.3 31.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.42 -43.87 47.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.1 t -59.99 -67.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.225 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.2 t -43.71 -43.96 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.12 -54.53 32.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.63 -36.76 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 93.8 t -74.84 -47.01 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -60.54 -54.12 49.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.229 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.842 HG22 ' HB2' ' A' ' 61' ' ' ALA . 92.6 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' MET . 16.1 mt-30 -114.85 109.04 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -111.24 124.67 52.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.481 ' O ' HG13 ' A' ' 20' ' ' VAL . 73.5 m-85 -126.68 115.78 19.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.19 101.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.242 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 18' ' ' PHE . 6.0 m -125.54 158.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 55.1 mt-30 -88.35 140.8 29.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.76 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -94.04 100.82 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.901 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -64.0 -47.85 78.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.76 -173.74 29.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.441 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 23.2 ttp -120.1 108.25 14.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 27' ' ' PRO . 1.2 tt -107.39 131.11 21.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.479 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.0 Cg_endo -75.03 155.61 42.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -141.07 140.59 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.65 -45.33 59.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -86.5 132.47 42.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.53 17.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -132.28 172.81 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.04 135.6 6.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.3 mtp -81.86 -39.23 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -62.18 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -54.37 -43.71 71.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 89' ' ' GLY . 5.3 tp -49.5 -59.03 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -63.16 -54.69 33.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -48.77 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.53 64.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.3 mt -50.92 -65.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -39.08 -40.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.426 ' HB3' HD13 ' A' ' 26' ' ' LEU . 2.0 t-20 -61.2 -62.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -54.57 -45.6 73.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.441 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 73.8 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.596 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.3 tttm -68.77 -53.38 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.92 -35.2 79.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -26.33 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.596 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 10.1 m0 -73.61 124.42 90.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.06 31.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 103.27 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' A' ' 77' ' ' LEU . 13.1 m -112.37 161.51 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -113.42 133.91 54.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' GLN . 21.2 tpp -92.76 100.15 12.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -80.66 132.41 35.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.476 HG22 HG22 ' A' ' 65' ' ' VAL . 93.5 t -135.91 110.34 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.842 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -142.78 141.36 31.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 1.7 t70 66.24 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.753 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 178.3 36.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.507 HG23 ' HG3' ' A' ' 81' ' ' ARG . 24.6 m -127.09 149.9 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.477 HG21 HG13 ' A' ' 126' ' ' VAL . 4.9 t -118.01 100.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.402 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 42.4 m -110.69 125.15 53.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -87.23 105.93 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mt -98.04 151.99 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.2 t -73.84 158.55 34.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 4.3 tt0 -65.5 -47.5 75.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 68.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.0 135.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -107.13 -11.64 15.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -105.44 -24.87 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.55 107.79 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.574 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -104.95 92.48 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 56' ' ' VAL . 12.1 mt -49.65 -55.11 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.76 HG21 ' OH ' ' A' ' 22' ' ' TYR . 13.5 t -133.1 150.31 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -131.66 99.08 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 63.8 m -111.62 143.48 42.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.507 ' HG3' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -117.47 149.44 40.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.753 HG21 ' HB1' ' A' ' 63' ' ' ALA . 18.5 m -61.59 -33.71 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.416 ' HD2' ' CG ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -66.22 -33.88 76.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.416 ' CG ' ' HD2' ' A' ' 83' ' ' ARG . 1.6 m-85 -85.12 -18.97 32.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.889 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -63.65 143.51 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.11 -32.47 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 88' ' ' MET . 36.7 t80 -177.87 170.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.602 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.06 -148.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.666 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 130.97 153.38 7.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.14 149.18 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.7 -174.7 50.54 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -43.41 -50.4 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.87 155.69 19.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 119' ' ' ALA . 19.3 m -81.8 -7.22 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 95' ' ' HIS . 0.8 OUTLIER -101.57 18.65 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.639 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 p -128.17 131.71 48.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -136.57 139.93 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.575 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -152.62 141.29 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.889 ' HB2' HD21 ' A' ' 85' ' ' LEU . 6.5 p90 -137.53 140.73 41.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.515 ' O ' HD23 ' A' ' 85' ' ' LEU . 64.8 mt -88.02 133.9 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.504 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 25.5 ptm -119.37 165.01 14.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.549 0.214 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -118.7 138.82 52.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.46 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 16.5 t -115.18 108.37 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 108.249 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 80.4 m-70 -88.79 112.09 22.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.901 HG12 HD13 ' A' ' 23' ' ' LEU . 92.0 t -88.23 141.02 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.0 m-85 -146.17 164.94 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.428 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 7.7 t-105 -122.05 113.48 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.2 m -108.6 152.73 24.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 108.269 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.516 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 38.2 mt-10 -138.79 150.8 66.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -75.0 -9.63 24.01 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.021 0.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 5.4 p30 -154.88 155.95 35.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.02 37.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.04 -36.59 19.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -81.37 -38.44 26.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.76 -64.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.9 t -47.03 -40.69 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.58 -55.55 14.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -50.38 -42.88 54.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.477 HG13 HG21 ' A' ' 65' ' ' VAL . 87.3 t -67.45 -51.82 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLN . . . . . 0.542 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 3.1 mm-40 -56.81 -57.62 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.916 HG22 ' HB2' ' A' ' 61' ' ' ALA . 70.1 t . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 25.2 mt-30 -117.31 109.48 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD3' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -103.04 129.17 49.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 91.5 m-85 -124.8 111.75 15.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.17 100.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 115' ' ' CYS . 34.4 m -129.48 160.89 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 47.7 mt-30 -88.75 154.85 19.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.486 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -107.27 101.33 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.743 HD13 HG12 ' A' ' 112' ' ' VAL . 2.5 mp -65.23 -43.01 92.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.59 168.2 11.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.417 ' CG ' ' HB3' ' A' ' 109' ' ' GLU . 13.6 tmm? -93.66 137.8 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.402 ' N ' ' SD ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -135.93 128.29 17.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.62 43.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.69 133.82 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.26 -44.73 82.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 118.63 72.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 108' ' ' PHE . 18.3 Cg_endo -75.01 -9.27 20.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 87' ' ' PHE . 19.5 m -146.33 147.44 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.03 145.3 4.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.1 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -43.35 12.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.23 -65.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -50.17 -43.89 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -50.52 -67.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 45.5 m-80 -50.86 -49.43 59.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.36 -50.91 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.6 mt -44.98 -63.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -49.69 -34.46 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -60.85 -55.7 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.98 -57.75 11.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.537 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 2.5 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 9.9 tttt -83.68 -50.48 8.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.25 -26.03 66.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.68 -23.48 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 9.6 m0 -76.12 128.17 83.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 107.975 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.38 25.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.34 102.42 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 m -112.03 173.35 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -119.11 141.99 48.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.9 tpp -102.53 101.32 11.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -80.62 135.87 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -135.34 106.19 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.916 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -159.62 166.85 29.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.6 t0 41.71 33.82 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.649 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 55.62 54.77 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.7 m -145.02 158.73 43.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' CYS . 4.6 t -124.78 100.48 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.411 ' CG2' HG23 ' A' ' 76' ' ' VAL . 95.6 m -113.45 129.79 56.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.4 t -92.07 102.51 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.52 HD13 ' O ' ' A' ' 73' ' ' GLU . 11.1 mt -96.27 147.18 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.9 t -73.28 165.53 24.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -82.24 -35.59 28.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -75.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.74 171.11 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -110.46 -18.53 13.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 2.6 pt-20 -88.66 -22.41 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.59 108.43 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.583 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -106.73 92.55 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.69 -56.28 12.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.486 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.4 t -126.58 149.61 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -130.52 95.07 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.458 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 84.8 m -112.65 150.44 31.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 51.6 mtt85 -122.17 -174.5 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.649 HG21 ' HB1' ' A' ' 63' ' ' ALA . 23.5 m -98.91 -27.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -75.22 -16.67 60.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.571 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 21.7 m-85 -110.48 -0.22 17.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.96 152.87 39.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.39 -41.12 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 88' ' ' MET . 26.8 t80 -176.61 169.26 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.513 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 18.7 ptp -169.01 -160.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.61 -164.14 28.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 119' ' ' ALA . 77.2 t -116.54 121.35 67.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.5 -176.86 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.401 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 12.2 mmmt -40.38 -61.93 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -74.24 152.92 39.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 119' ' ' ALA . 21.4 m -78.35 -5.59 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.554 ' O ' ' CE3' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -103.2 43.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 16.6 p -151.4 132.14 14.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.566 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 50.8 t80 -141.8 124.05 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -143.1 152.42 41.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.849 ' HB2' HD21 ' A' ' 85' ' ' LEU . 32.0 p90 -143.05 141.37 31.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 17.2 mt -88.58 114.93 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.458 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 24.5 ptm -98.09 161.35 13.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 31' ' ' PRO . 34.7 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.501 0.191 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 65.2 mt-10 -106.18 129.28 54.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.9 t -104.59 109.5 21.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 78.3 m-70 -90.46 102.48 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.743 HG12 HD13 ' A' ' 23' ' ' LEU . 73.4 t -82.65 144.86 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 91.9 m-85 -146.99 162.75 38.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.554 ' CE3' ' O ' ' A' ' 95' ' ' HIS . 32.8 t-105 -115.06 111.42 21.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.473 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.1 m -109.71 145.18 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.534 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.7 mt-10 -132.09 147.25 65.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.01 -35.37 2.94 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.974 0.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -124.02 156.7 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -89.33 41.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.94 -51.09 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -58.84 -49.27 78.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 126' ' ' VAL . 21.1 t -59.9 -66.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.472 ' HA ' ' CE1' ' A' ' 97' ' ' PHE . 21.2 t -45.12 -37.85 4.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.35 -57.75 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.08 -29.67 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 122' ' ' VAL . 84.2 t -77.6 -56.56 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -54.69 -46.11 74.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.935 HG22 ' HB2' ' A' ' 61' ' ' ALA . 53.4 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.67 110.08 15.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -105.43 130.17 53.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -129.28 115.86 18.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 99.94 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' VAL . 13.7 m -124.81 154.85 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -88.24 144.3 26.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -94.96 102.97 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.63 HD13 HG12 ' A' ' 112' ' ' VAL . 0.6 OUTLIER -68.12 -43.23 78.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.588 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 142.4 156.38 6.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.466 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 26.2 ttp -94.42 107.22 19.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 0.806 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' HD2' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -105.91 141.43 22.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HD2' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 169.05 23.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.78 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG13 ' C ' ' A' ' 27' ' ' PRO . 20.8 m -152.26 166.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.74 -41.8 4.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 118.58 63.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.0 -5.54 16.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.81 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG13 ' C ' ' A' ' 31' ' ' PRO . 16.4 m -152.16 154.34 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' ASP . . . 137.19 -16.06 3.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 68.02 -59.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.937 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -39.71 -55.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -60.43 -40.31 90.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.687 HD12 HG13 ' A' ' 100' ' ' ILE . 0.7 OUTLIER -54.93 -54.45 42.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -62.44 -51.67 66.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -40.43 -45.41 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.3 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.431 HG12 HG13 ' A' ' 112' ' ' VAL . 95.8 mt -53.97 -65.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -42.25 -42.13 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -56.57 -59.76 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.588 HD11 ' O ' ' A' ' 24' ' ' GLY . 10.7 mt -51.87 -51.93 53.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.431 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 3.2 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 17.9 tttm -73.56 -49.46 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -65.5 -35.83 82.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -49.05 -28.68 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.587 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 7.8 m0 -73.14 125.51 90.9 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 108.04 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 137.69 22.14 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.43 102.66 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' VAL . 12.7 m -112.9 168.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -114.37 138.23 50.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.51 ' SD ' HG13 ' A' ' 122' ' ' VAL . 58.6 ttm -100.74 104.52 15.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 26.0 t-20 -80.64 136.36 36.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.595 HG11 ' O ' ' A' ' 125' ' ' ALA . 48.3 t -133.85 109.56 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.935 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -164.27 166.3 21.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' ALA . 13.1 t0 40.23 35.23 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.686 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.39 55.6 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 80' ' ' CYS . 19.2 m -144.88 157.15 44.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 65' ' ' VAL . 3.7 t -122.32 99.61 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.583 HG22 HG23 ' A' ' 76' ' ' VAL . 29.3 m -111.88 119.85 39.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.424 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.417 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 59.6 t -85.64 106.51 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.2 mt -99.63 159.77 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.7 t -85.18 166.08 16.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -88.11 -34.78 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.319 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -65.41 -51.99 56.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -115.41 167.25 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -109.6 -17.1 13.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.07 10.3 41.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -97.41 74.62 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 66' ' ' THR . 1.6 p -73.41 97.76 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' VAL . 6.9 mt -60.55 -46.18 91.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.0 150.35 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -133.33 97.35 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.54 ' O ' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -111.81 151.09 29.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.577 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 46.4 mtt180 -123.98 168.99 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.686 HG21 ' HB1' ' A' ' 63' ' ' ALA . 13.4 m -83.44 -28.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -75.25 -16.24 60.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.577 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 17.7 m-85 -110.61 -1.92 16.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -76.12 154.21 35.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.5 m -117.76 -36.49 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.956 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.607 ' CE2' ' O ' ' A' ' 88' ' ' MET . 40.2 t80 -178.4 173.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.607 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -162.84 -150.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.9 156.28 8.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 96' ' ' THR . 69.2 t -81.08 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.67 -171.96 2.15 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -43.54 -64.08 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.58 163.28 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 119' ' ' ALA . 35.0 m -85.32 -8.77 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -99.39 17.1 21.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.605 ' O ' HG13 ' A' ' 90' ' ' VAL . 4.7 p -122.58 129.65 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.557 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 47.3 t80 -140.02 127.07 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.43 145.48 33.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.733 ' HB2' HD21 ' A' ' 85' ' ' LEU . 6.9 p90 -132.75 140.0 47.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.687 HG13 HD12 ' A' ' 37' ' ' LEU . 41.8 mt -89.72 126.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.504 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 26.4 ptm -120.12 165.18 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 101' ' ' MET . 25.7 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.525 0.202 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.466 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 18.7 mt-10 -128.32 135.88 50.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.95 112.28 23.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 81.4 m-70 -93.76 105.74 17.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.566 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.63 HG12 HD13 ' A' ' 23' ' ' LEU . 87.4 t -82.38 142.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.8 m-85 -146.85 161.17 41.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TRP . . . . . 0.426 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 27.9 t-105 -114.57 111.52 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.02 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.4 m -109.63 143.51 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.5 mt-10 -131.6 149.28 73.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -26.28 9.41 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.997 0.048 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -134.91 156.87 48.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -90.15 39.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.42 -41.99 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -72.44 -42.65 64.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.51 HG13 ' SD ' ' A' ' 58' ' ' MET . 2.8 t -63.36 -66.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.4 t -45.14 -37.78 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.38 -58.51 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.595 ' O ' HG11 ' A' ' 60' ' ' VAL . . . -51.76 -22.79 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.2 t -91.16 -45.73 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -64.39 -54.91 25.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.597 HG21 ' ND2' ' A' ' 59' ' ' ASN . 1.7 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -104.27 109.32 21.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -109.57 123.03 48.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 20' ' ' VAL . 81.8 m-85 -123.76 118.72 27.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.01 99.9 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 18' ' ' PHE . 9.9 m -125.37 157.99 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 54.3 mt-30 -88.69 154.83 19.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.666 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -106.92 103.26 12.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.775 HD13 HG12 ' A' ' 112' ' ' VAL . 1.9 mp -67.49 -47.32 70.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.34 -176.32 28.13 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.517 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 11.7 ttp -114.93 114.9 26.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.73 128.21 25.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' C ' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 156.12 42.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG13 ' C ' ' A' ' 27' ' ' PRO . 14.7 m -151.48 148.54 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.23 -43.4 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.48 119.04 75.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.4 Cg_endo -74.98 -8.59 20.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 87' ' ' PHE . 18.3 m -142.48 155.21 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.81 114.58 2.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mtp -63.14 -39.17 93.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.27 -67.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -52.45 -46.52 66.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.15 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -47.94 -39.36 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -36.96 85.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.44 -32.25 72.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.547 HG12 HG13 ' A' ' 112' ' ' VAL . 10.1 mt -69.71 -70.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' N ' HG22 ' A' ' 41' ' ' ILE . 5.6 pt-20 -37.61 -47.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.505 ' N ' ' CG ' ' A' ' 42' ' ' GLU . 3.9 t-20 -59.69 -54.68 43.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.2 mt -64.92 -14.07 58.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.552 ' HG2' HD21 ' A' ' 23' ' ' LEU . 51.2 mtp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 8.5 tttm -64.53 -55.64 19.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.49 -30.7 71.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -22.08 9.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TRP . . . . . 0.587 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 7.5 m0 -77.49 127.22 83.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.24 25.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.76 102.29 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 m -110.72 176.18 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -119.32 141.14 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.436 ' SD ' HG22 ' A' ' 67' ' ' VAL . 9.1 tpp -106.82 98.19 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.597 ' ND2' HG21 ' A' ' 15' ' ' VAL . 44.5 t-20 -80.76 140.52 35.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.432 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 44.1 t -133.6 108.74 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.494 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -158.19 165.13 35.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' ALA . 16.2 t0 40.38 42.01 1.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 48.79 53.26 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 80' ' ' CYS . 23.7 m -146.42 155.08 42.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.498 HG21 HG13 ' A' ' 126' ' ' VAL . 2.7 t -120.3 99.64 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.471 ' CG2' HG23 ' A' ' 76' ' ' VAL . 69.5 m -107.83 119.55 39.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.436 HG22 ' SD ' ' A' ' 58' ' ' MET . 61.4 t -85.48 106.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.1 mt -101.06 151.53 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.1 t -68.55 157.1 36.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -68.74 -48.85 62.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 64.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 166.4 113.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.04 62.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -178.1 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -65.87 69.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.471 HG23 ' CG2' ' A' ' 66' ' ' THR . 1.5 p -62.81 100.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.69 -46.99 88.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.666 HG21 ' OH ' ' A' ' 22' ' ' TYR . 20.1 t -143.02 143.43 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.2 98.06 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.617 ' O ' HG23 ' A' ' 64' ' ' THR . 4.3 t -100.0 146.03 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 108.312 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -125.5 131.35 52.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 63' ' ' ALA . 3.6 m -59.95 -18.53 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.99 -20.53 38.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -107.84 -3.4 19.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.17 152.35 41.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 m -117.17 -35.56 4.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 88' ' ' MET . 35.4 t80 -177.52 168.53 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.603 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 19.8 ptp -169.23 -164.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.39 176.08 20.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 96' ' ' THR . 99.2 t -94.09 138.25 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.79 -175.66 15.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -42.05 -57.32 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.52 151.64 30.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 25.1 m -77.48 -6.79 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.83 39.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.563 ' O ' HG13 ' A' ' 90' ' ' VAL . 12.2 p -151.23 128.08 10.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.668 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 27.3 t80 -133.97 133.68 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -147.58 152.58 38.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.793 ' HB2' HD21 ' A' ' 85' ' ' LEU . 8.7 p90 -146.41 143.06 28.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.566 ' O ' HD23 ' A' ' 85' ' ' LEU . 50.8 mt -88.47 126.91 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.412 ' O ' ' HA ' ' A' ' 108' ' ' PHE . 26.4 ptm -124.56 163.13 22.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' A' ' 101' ' ' MET . 19.5 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.509 0.195 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.481 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 46.3 mm-40 -114.28 152.02 32.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 t -126.39 112.35 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 63.9 m-70 -94.17 113.96 25.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.637 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.775 HG12 HD13 ' A' ' 23' ' ' LEU . 89.3 t -91.6 143.33 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.7 m-85 -146.75 163.1 37.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -118.11 122.54 43.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.0 m -124.55 142.31 51.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 108.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.2 mt-10 -124.2 146.5 51.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.05 -44.52 0.55 Allowed 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.948 0.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 1.2 p30 -117.88 151.2 37.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.668 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -88.14 44.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.92 -52.79 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -57.81 -49.94 74.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.9 t -57.75 -68.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.9 t -43.82 -40.63 4.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.7 -55.04 14.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.18 -34.31 44.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.498 HG13 HG21 ' A' ' 65' ' ' VAL . 69.1 t -74.81 -48.02 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -62.08 -50.26 72.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -47.77 -58.67 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.43 139.9 35.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.29 -148.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 t -118.64 154.34 32.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.989 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.89 168.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.74 107.01 1.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.91 5.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.735 HG23 ' HD2' ' A' ' 10' ' ' PRO . 2.5 m -134.8 146.64 59.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.99 63.93 6.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.23 126.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.4 p -128.19 176.63 7.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.352 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.96 166.7 10.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.6 128.15 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.871 HG22 ' HB2' ' A' ' 61' ' ' ALA . 77.1 t -123.58 141.69 42.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -118.51 109.69 16.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.623 ' HD3' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -104.62 131.18 52.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CD2' HG22 ' A' ' 122' ' ' VAL . 70.6 m-85 -130.77 115.65 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.49 100.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 56' ' ' VAL . 11.5 m -125.92 158.12 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.9 mt-30 -88.48 153.04 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.741 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -105.4 103.83 13.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -68.65 -46.92 67.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.19 -174.4 30.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.458 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 18.6 ttp -116.41 110.29 18.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 27' ' ' PRO . 3.7 tt -111.74 127.6 26.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.441 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.05 155.89 42.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.1 m -144.2 150.63 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.37 -50.14 8.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 115.28 53.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.587 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.2 Cg_endo -75.05 -5.33 16.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.432 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.8 m -142.29 142.68 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.39 160.04 9.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -101.49 -47.6 4.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.01 -60.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m -56.39 -42.38 77.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD11 ' O ' ' A' ' 98' ' ' ALA . 2.6 tp -53.52 -61.15 2.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -54.69 -51.52 65.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.2 t -47.27 -46.33 24.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.29 -56.43 22.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -52.22 -67.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -39.45 -40.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -61.05 -56.82 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' SER . 11.8 mt -61.72 -47.87 83.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 mtt -38.21 -58.94 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -56.81 -37.36 71.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' LEU . 3.6 m -76.66 129.43 36.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m 62.06 129.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.023 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.5 m -62.23 179.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 19.0 tttm -72.95 -50.55 22.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.2 -27.01 68.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.09 -37.75 88.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.513 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 11.0 m0 -61.36 127.22 87.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 108.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.404 ' O ' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.99 135.08 18.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 102.47 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 20' ' ' VAL . 4.5 m -111.73 175.33 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -121.79 140.8 51.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 tpp -102.78 103.89 14.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 22.0 t-20 -81.31 136.84 35.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.453 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 81.0 t -135.32 113.05 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.871 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -166.3 166.82 16.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t70 40.73 37.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.783 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 53.17 54.06 10.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 80' ' ' CYS . 16.5 m -145.43 158.78 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.5 t -126.92 102.89 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.594 ' CG2' HG13 ' A' ' 76' ' ' VAL . 99.6 m -115.3 122.1 44.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.397 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.448 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 87.8 t -85.48 107.14 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 75' ' ' GLU . 13.7 mt -99.38 145.29 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.518 ' HA ' HD11 ' A' ' 77' ' ' LEU . 6.2 t -62.01 177.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' N ' ' OG ' ' A' ' 69' ' ' SER . 7.1 tt0 -93.02 -42.47 9.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -95.89 47.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m120 172.43 111.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.61 1.68 50.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -106.28 -43.3 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.796 ' O ' HG23 ' A' ' 68' ' ' ILE . 10.1 tt0 -52.61 139.91 24.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.594 HG13 ' CG2' ' A' ' 66' ' ' THR . 47.0 t -124.66 93.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 69' ' ' SER . 3.6 mt -56.88 -64.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.741 HG21 ' OH ' ' A' ' 22' ' ' TYR . 24.8 t -125.03 141.88 43.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -123.26 101.3 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.41 ' O ' HG23 ' A' ' 64' ' ' THR . 94.7 m -113.08 150.06 32.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 108.26 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -126.92 141.9 51.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 63' ' ' ALA . 5.8 m -62.24 -20.82 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -22.71 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.31 0.43 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.873 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.77 161.94 28.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.82 -43.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CD2' ' N ' ' A' ' 88' ' ' MET . 43.5 t80 -171.43 173.19 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.526 ' N ' ' CD2' ' A' ' 87' ' ' PHE . 16.9 ptp -172.24 -158.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 143.38 170.84 13.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' A' ' 94' ' ' VAL . 73.5 t -91.45 125.7 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -61.91 -171.7 1.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -40.37 -65.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -75.99 147.44 38.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.505 ' HA ' HG11 ' A' ' 90' ' ' VAL . 21.2 m -76.59 -4.46 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.2 m80 -99.34 36.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.616 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 23.4 p -150.46 139.45 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.482 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 49.0 t80 -140.67 127.39 20.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.623 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -140.58 146.92 38.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.873 ' HB2' HD21 ' A' ' 85' ' ' LEU . 18.1 p90 -144.41 140.48 29.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.587 HG21 ' HA ' ' A' ' 31' ' ' PRO . 21.1 mt -88.0 123.14 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.401 ' SD ' ' SG ' ' A' ' 80' ' ' CYS . 26.1 ptm -110.01 165.03 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -114.81 118.61 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.9 p -101.89 -36.29 8.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.69 162.38 10.25 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 106' ' ' GLN . 2.9 m120 63.3 55.01 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 105' ' ' ASN . 3.8 mt-30 37.34 49.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 135.18 49.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.35 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.414 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 31.5 m-85 -131.32 139.3 49.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -120.85 134.66 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.623 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 19.0 t -110.21 112.08 23.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 108.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 78.7 m-70 -91.49 109.96 21.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.793 HG12 HD13 ' A' ' 23' ' ' LEU . 97.2 t -86.11 143.02 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 96.9 m-85 -146.78 164.69 31.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -120.25 116.52 25.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -115.69 144.71 43.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 108.306 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.0 mp0 -128.59 149.55 72.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.595 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.3 Cg_endo -75.0 -12.69 23.92 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.0 -0.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 118' ' ' ASN . 0.3 OUTLIER -157.1 148.27 21.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -81.59 51.62 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.49 -48.71 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -71.58 -42.15 68.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 18' ' ' PHE . 14.6 t -59.64 -58.68 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 6.8 t -52.58 -41.48 63.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.9 -55.95 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -49.89 -34.18 19.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.42 -44.44 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 123' ' ' SER . 4.6 mm100 -60.51 -54.79 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.23 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.08 -31.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.643 ' CB ' HG11 ' A' ' 82' ' ' VAL . . . -80.45 -54.63 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 43.4 m -55.17 -61.91 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 t 39.76 90.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -122.92 169.56 15.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.12 21.1 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.444 1.76 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.2 -24.16 13.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 47.53 50.43 14.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.448 1.093 . . . . 0.0 110.966 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -115.26 161.58 18.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -169.72 146.78 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 142.73 7.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.123 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.36 158.39 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -177.17 -41.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.72 155.48 0.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 140.53 25.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.2 p -57.0 157.7 10.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 74.97 3.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 170.07 18.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -169.82 145.8 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.7 142.87 45.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.77 149.68 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.877 HG22 ' HB2' ' A' ' 61' ' ' ALA . 93.9 t -135.57 150.43 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 27.5 mt-30 -121.94 110.03 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -102.53 125.07 49.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.549 ' O ' HG13 ' A' ' 20' ' ' VAL . 81.4 m-85 -124.18 110.17 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.16 99.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 18' ' ' PHE . 3.3 m -127.69 162.57 33.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 31.0 mt-30 -88.49 161.89 16.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -113.57 102.15 10.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD13 HG12 ' A' ' 112' ' ' VAL . 1.2 mp -64.51 -45.99 84.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.69 169.98 11.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -97.64 135.79 38.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -135.69 127.47 17.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 146.93 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.3 m -142.12 146.71 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -56.92 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 118.33 62.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.606 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.03 -11.64 21.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.795 HG12 ' HB2' ' A' ' 87' ' ' PHE . 18.8 m -138.45 174.93 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.56 148.9 20.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -35.39 17.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.05 -66.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.8 m -51.01 -47.81 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.425 HD11 ' O ' ' A' ' 98' ' ' ALA . 4.1 tp -44.79 -68.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -50.36 -57.02 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.21 -47.12 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -57.45 -58.14 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.3 mt -52.02 -65.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.67 ' O ' HG22 ' A' ' 46' ' ' THR . 26.9 mt-10 -38.85 -37.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.89 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.448 HD12 HG21 ' A' ' 112' ' ' VAL . 13.9 mt -49.56 -54.64 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -64.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 42' ' ' GLU . 7.9 t -78.32 57.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -154.61 -61.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -108.6 160.33 16.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.971 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 m -75.69 164.0 26.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 10.2 tttm -67.31 -52.85 35.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.41 -27.63 69.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -17.82 16.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.488 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 9.2 m0 -82.08 127.59 71.22 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.12 23.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.9 102.07 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' VAL . 12.1 m -111.06 171.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -116.03 136.68 52.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.0 tpp -99.64 107.37 19.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -85.31 137.3 33.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.0 t -135.39 110.68 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.877 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -167.25 168.17 13.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t0 41.53 37.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.797 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 50.77 51.89 16.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 80' ' ' CYS . 52.4 m -144.15 155.05 43.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG21 HG13 ' A' ' 126' ' ' VAL . 3.0 t -119.89 101.37 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.64 ' CG2' HG13 ' A' ' 76' ' ' VAL . 95.0 m -111.6 133.0 54.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.59 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.8 mt -95.88 143.89 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.474 ' HA ' HD11 ' A' ' 77' ' ' LEU . 28.8 t -65.38 170.93 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.93 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.435 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 9.1 tt0 -97.4 -47.67 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -36.97 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -123.66 115.3 21.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.17 52.45 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -158.0 -44.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -52.77 119.03 4.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.64 HG13 ' CG2' ' A' ' 66' ' ' THR . 54.3 t -94.94 93.15 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 69' ' ' SER . 3.2 mt -56.89 -60.57 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.51 147.68 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -131.33 101.27 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.555 ' O ' HG23 ' A' ' 64' ' ' THR . 0.9 OUTLIER -108.51 150.39 27.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 108.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -123.58 136.65 54.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 63' ' ' ALA . 14.1 m -60.03 -18.99 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -81.03 -25.66 36.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.415 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -101.03 -8.45 22.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.841 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -65.33 161.06 20.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 72.2 m -124.23 -41.8 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.795 ' HB2' HG12 ' A' ' 32' ' ' VAL . 42.6 t80 -177.35 172.69 1.83 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.529 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 15.3 ptp -169.56 -158.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 150.87 175.4 22.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.6 t -97.39 115.11 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -51.24 -175.79 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -40.78 -72.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.5 OUTLIER -64.43 164.08 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 22.7 m -86.84 -12.52 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.48 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -95.65 22.92 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 20.0 p -126.13 145.78 50.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 47.0 t80 -156.07 139.44 15.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.425 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -156.77 152.16 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.841 ' HB2' HD21 ' A' ' 85' ' ' LEU . 10.7 p90 -146.76 140.98 26.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 31' ' ' PRO . 17.3 mt -88.23 121.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.406 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 26.7 ptm -110.93 161.42 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -115.52 122.46 45.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.9 p -100.87 -49.06 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.352 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.97 155.47 6.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER 68.95 56.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 105' ' ' ASN . 3.6 mt-30 38.19 56.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -128.83 142.0 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.407 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 19.1 m-85 -137.42 127.26 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -114.08 134.49 54.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.403 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 10.2 t -111.96 108.75 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 76.9 m-70 -89.33 111.46 22.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.615 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.817 HG12 HD13 ' A' ' 23' ' ' LEU . 63.2 t -88.81 143.11 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.9 m-85 -146.65 162.33 38.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 15.8 t-105 -120.59 109.14 14.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 2.9 m -105.67 153.78 21.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 18.4 mt-10 -139.0 149.74 62.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -8.0 23.49 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.007 0.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 11.9 p30 -158.1 157.67 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.21 23.94 3.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.93 -40.71 65.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -76.81 -36.24 57.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 t -68.37 -66.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 13.7 t -46.42 -38.2 8.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.86 -49.66 64.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.64 -27.37 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.484 HG12 ' CE ' ' A' ' 88' ' ' MET . 69.2 t -83.57 -42.98 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 123' ' ' SER . 5.7 mm-40 -64.36 -49.96 69.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.93 -27.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.722 ' HB1' HG11 ' A' ' 82' ' ' VAL . . . -78.24 -62.54 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 38.8 t -51.94 -38.88 58.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.339 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.9 t -63.43 -63.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 118.85 -155.88 15.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 87.93 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.0 m -153.28 135.44 14.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.9 t -136.72 164.84 27.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.097 . . . . 0.0 111.043 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.8 146.51 49.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 0.802 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.32 165.83 14.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.941 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.58 106.74 2.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 p -81.93 131.96 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.39 111.2 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.2 122.28 7.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 59.44 5.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.8 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.2 p 38.76 88.66 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 75.91 3.54 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 134.05 46.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.4 t -171.99 154.42 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.77 143.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 167.28 9.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.897 HG22 ' HB2' ' A' ' 61' ' ' ALA . 72.6 t -131.52 147.54 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -121.78 109.93 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -105.15 130.17 53.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -125.84 120.86 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 100.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 115' ' ' CYS . 17.8 m -128.28 156.32 40.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 58.4 mt-30 -88.57 143.54 26.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.565 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -94.46 114.93 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.919 HD13 HG12 ' A' ' 112' ' ' VAL . 1.6 mp -80.51 -44.43 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.04 177.24 17.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.477 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 21.4 ttp -108.76 113.58 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -109.75 127.43 27.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.52 36.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.39 166.67 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.43 -54.8 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 121.39 85.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.02 -8.26 19.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -136.79 -172.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.15 155.5 32.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.56 -39.58 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.29 -62.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -53.46 -45.1 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tp -48.0 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -49.89 -50.15 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -49.5 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.69 -64.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.2 mt -41.71 -68.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -40.55 -43.68 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -52.52 -60.13 3.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.93 -59.26 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.31 -64.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.1 p -69.39 60.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 t -169.1 -65.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -94.68 149.09 21.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.542 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 15.5 m -73.05 176.49 5.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 1.7 tttt -77.59 -52.48 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.65 -28.33 69.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -58.68 -18.14 28.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.583 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 10.5 m0 -84.23 125.02 73.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.0 26.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.8 103.19 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 m -111.92 172.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -121.49 136.05 54.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.1 tpp -97.22 104.44 16.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 28.9 t-20 -80.79 137.59 36.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 71.5 t -135.21 103.66 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.897 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -159.3 168.29 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t0 40.25 32.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.845 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 54.87 53.75 10.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 61' ' ' ALA . 55.3 m -144.9 153.87 42.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.7 t -117.41 99.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 m -111.53 125.17 53.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.38 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.7 t -90.16 111.82 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.9 mt -107.12 157.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -71.05 166.75 20.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.22 -34.54 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -85.73 -90.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -47.24 156.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -116.36 -8.65 11.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.03 -20.79 13.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -70.35 102.16 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.479 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -99.85 95.81 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.52 -51.04 66.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.565 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.8 t -134.09 151.07 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -133.64 95.16 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.411 ' O ' HG23 ' A' ' 64' ' ' THR . 66.6 m -104.43 150.48 24.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -125.87 138.99 53.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.845 HG22 ' O ' ' A' ' 63' ' ' ALA . 14.6 m -60.05 -19.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -22.96 40.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -105.52 0.33 26.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -75.23 157.7 34.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 m -122.65 -41.03 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 88' ' ' MET . 32.9 t80 -174.06 170.53 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.51 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 15.1 ptp -170.65 -158.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.061 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 146.15 177.64 20.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 119' ' ' ALA . 40.8 t -97.92 119.56 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.35 -174.15 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -40.1 -73.74 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.797 . . . . 0.0 109.266 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.4 OUTLIER -60.19 163.85 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 119' ' ' ALA . 24.7 m -86.38 -11.1 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 1.1 m-70 -100.99 31.85 3.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 4.7 p -132.24 133.71 44.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.509 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 48.0 t80 -146.58 121.63 10.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.53 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -137.01 149.27 47.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.866 ' HB2' HD21 ' A' ' 85' ' ' LEU . 23.4 p90 -145.25 142.68 29.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.464 HG21 ' HA ' ' A' ' 31' ' ' PRO . 21.0 mt -87.9 132.34 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.8 ptm -124.7 164.91 18.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.34 116.5 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.415 HG21 ' OE2' ' A' ' 109' ' ' GLU . 60.4 p -95.82 -18.41 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 105' ' ' ASN . . . 147.84 143.78 3.88 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 104' ' ' GLY . 3.6 m-20 80.48 -160.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -92.79 18.25 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -95.78 153.26 17.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -140.1 150.87 44.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.415 ' OE2' HG21 ' A' ' 103' ' ' THR . 22.4 mt-10 -124.98 139.07 54.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.53 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 49.5 t -118.46 110.32 17.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.277 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 87.0 m-70 -90.83 116.25 28.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.919 HG12 HD13 ' A' ' 23' ' ' LEU . 74.0 t -91.98 141.59 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.1 m-85 -146.82 162.86 37.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.438 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 9.8 t-105 -116.53 103.0 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.695 ' HA ' HG12 ' A' ' 20' ' ' VAL . 8.9 m -94.64 151.64 19.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.2 mt-10 -140.86 150.43 59.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -9.81 23.89 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.004 -0.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 16.9 p30 -151.43 160.2 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.354 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.695 ' HB3' HG22 ' A' ' 90' ' ' VAL . . . -91.78 33.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.63 -46.17 9.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.0 -43.52 67.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.9 t -61.23 -65.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 30.2 t -48.79 -33.92 11.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.01 -57.15 5.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.83 -24.36 22.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.634 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 99.2 t -87.78 -53.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 123' ' ' SER . 0.9 OUTLIER -52.34 -56.23 16.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.88 -32.2 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 126' ' ' VAL . . . -69.18 -66.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 47.6 t -43.85 -59.67 2.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 108.318 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.01 -62.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.62 -160.96 27.75 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 83.57 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.9 m -154.53 136.03 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.1 t -155.19 79.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m 56.62 166.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.777 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -144.46 170.64 15.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.19 -155.71 8.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.13 166.57 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -175.69 166.06 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.14 116.12 0.69 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.84 9.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.9 p -101.09 107.92 52.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.01 17.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 159.87 29.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 t -170.25 140.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -126.04 83.26 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.664 HD23 ' N ' ' A' ' 15' ' ' VAL . 3.2 tt 59.85 154.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.871 HG22 ' HB2' ' A' ' 61' ' ' ALA . 86.2 t -133.96 155.67 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -125.38 110.12 13.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -107.61 126.43 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -126.93 115.43 19.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.44 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.48 99.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 115' ' ' CYS . 17.2 m -122.61 158.47 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 113' ' ' PHE . 60.4 mt-30 -89.34 142.21 27.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.774 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -94.88 113.02 24.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.8 HD13 HG12 ' A' ' 112' ' ' VAL . 0.5 OUTLIER -79.63 -45.46 19.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 141.68 162.99 9.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -91.44 133.59 35.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.72 128.5 21.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 158.74 41.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.45 HG21 HD13 ' A' ' 100' ' ' ILE . 29.8 m -142.68 152.89 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.57 -49.05 11.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -91.38 136.2 27.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -16.11 20.55 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.768 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 87' ' ' PHE . 8.1 m -133.89 167.63 25.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.55 126.16 3.69 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.2 mtp -71.52 -45.9 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -60.85 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 m -54.69 -37.97 66.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.3 tp -61.02 -66.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -49.72 -56.84 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -41.85 -45.08 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -57.76 -61.68 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 98' ' ' ALA . 95.7 mt -47.07 -66.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.06 -44.55 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.88 -57.72 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.483 HD12 HG21 ' A' ' 112' ' ' VAL . 14.8 mt -59.11 -45.82 89.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.57 -64.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.5 p -49.36 -50.29 40.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.3 p -65.28 129.62 40.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.949 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 m 62.12 128.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.7 m -61.59 -179.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.2 tttm -71.78 -50.27 31.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -63.3 -38.3 90.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -49.23 -32.94 11.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 15.4 m0 -65.81 128.1 93.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.65 23.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.51 102.14 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -110.7 172.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -116.17 143.67 45.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.3 tpp -107.14 104.32 13.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 28.0 t-20 -80.93 136.47 36.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.434 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 60.4 t -135.36 97.69 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.871 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -153.97 167.36 30.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.7 t0 41.0 37.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.875 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 51.59 52.85 13.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.51 HG23 ' HG2' ' A' ' 81' ' ' ARG . 54.3 m -143.52 153.33 42.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -120.6 100.5 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.6 m -115.32 122.92 47.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.01 100.9 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 75' ' ' GLU . 5.0 mt -94.17 147.95 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.6 t -70.24 159.43 34.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 6.3 tt0 -75.92 -50.64 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -89.16 45.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.67 163.62 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -126.08 -51.6 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.36 -13.14 61.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 68' ' ' ILE . 5.0 tt0 -80.65 110.54 16.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.567 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -110.09 92.83 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.19 -58.69 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.774 HG21 ' OH ' ' A' ' 22' ' ' TYR . 6.1 t -128.42 144.0 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.27 104.17 8.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.41 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 99.1 m -117.11 146.22 43.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.51 ' HG2' HG23 ' A' ' 64' ' ' THR . 81.1 mtt180 -118.81 148.41 42.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 63' ' ' ALA . 13.2 m -70.94 -24.62 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 84' ' ' PHE . 1.6 ppt_? -74.67 -19.35 60.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.451 ' CE2' ' CZ ' ' A' ' 83' ' ' ARG . 1.6 m-85 -105.63 -7.1 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -67.41 147.63 52.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.3 m -115.17 -34.42 5.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.04 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 88' ' ' MET . 48.5 t80 -178.27 170.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.573 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.01 -149.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 131.93 150.19 6.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 t -73.28 141.6 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.03 -178.04 30.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -41.85 -49.91 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -87.03 157.93 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' ALA . 21.2 m -82.98 -5.69 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.5 OUTLIER -102.08 17.23 23.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.578 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 p -126.37 131.35 51.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -135.94 136.16 40.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.478 ' HB3' HD11 ' A' ' 41' ' ' ILE . . . -149.84 144.68 26.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.851 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.1 p90 -143.57 146.7 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.79 ' O ' HD23 ' A' ' 85' ' ' LEU . 19.3 mt -94.79 128.61 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.696 ' SD ' HG22 ' A' ' 103' ' ' THR . 2.1 ppp? -120.04 165.88 14.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.25 106.88 13.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.696 HG22 ' SD ' ' A' ' 101' ' ' MET . 55.7 p -77.79 -58.31 3.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.369 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 105' ' ' ASN . . . -175.86 138.23 4.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 104' ' ' GLY . 1.8 t-20 75.97 -164.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -80.89 51.27 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.78 147.03 50.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -139.45 137.3 35.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -109.09 138.08 45.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.0 t -117.74 101.65 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' ALA . 65.6 m-70 -84.2 147.74 27.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.8 HG12 HD13 ' A' ' 23' ' ' LEU . 98.7 t -122.7 138.33 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 85.2 m-85 -146.71 165.43 29.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.555 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 11.0 t-105 -119.17 114.58 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.401 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.9 m -107.59 151.24 25.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.257 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 26.3 mt-10 -139.98 151.04 64.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -74.99 -9.66 23.98 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.982 -0.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 6.1 p30 -153.71 154.66 34.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.55 37.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.94 -39.84 15.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -77.88 -40.05 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 126' ' ' VAL . 3.6 t -63.69 -63.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.2 t -48.87 -39.91 27.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.36 -56.71 11.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.39 -34.5 34.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 78.8 t -75.34 -49.69 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 129' ' ' ALA . 3.8 mm-40 -59.8 -55.11 38.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -42.54 -29.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.57 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -78.22 -55.31 5.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 4.9 t -51.54 -60.86 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 108.257 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.87 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.59 -171.72 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.95 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.3 m -79.43 155.15 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -58.68 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 m 57.37 166.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.783 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -141.06 -58.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.72 -129.9 47.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.451 1.095 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 66.42 100.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 p -149.71 144.36 26.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.91 121.7 1.53 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -179.95 5.47 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.761 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 p -131.03 116.18 16.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.371 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 179.0 6.52 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.77 149.99 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 t -167.38 129.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.85 64.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.34 128.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.678 HG12 ' HB2' ' A' ' 61' ' ' ALA . 1.7 m -75.46 162.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 6.7 mt-30 -103.52 109.19 20.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HE3' ' CG2' ' A' ' 15' ' ' VAL . 17.7 mttt -105.7 125.75 51.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 80.0 m-85 -125.09 115.39 20.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.43 99.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 115' ' ' CYS . 20.4 m -123.72 156.68 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 49.1 mt-30 -88.47 141.12 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.721 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -91.08 110.61 21.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.803 HD13 HG12 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -78.69 -46.64 18.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 139.07 166.06 10.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 111.051 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.469 ' CG ' ' HB3' ' A' ' 109' ' ' GLU . 17.3 tmm? -94.52 131.84 39.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.976 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -126.26 127.52 24.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.0 37.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.16 171.04 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.42 -50.76 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -85.27 138.13 36.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.592 ' O ' HD12 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.0 -25.38 11.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.859 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.1 m -128.81 177.2 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.91 137.51 7.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 99.8 mmm -82.12 -36.98 26.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.89 -65.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -57.8 -38.26 75.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.6 tp -53.46 -69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -51.0 -57.26 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.94 -46.14 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -56.81 -53.48 57.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.423 HG12 HG13 ' A' ' 112' ' ' VAL . 60.7 mt -55.48 -67.19 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.45 -39.68 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.12 -59.52 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' SER . 12.4 mt -59.74 -44.43 93.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -59.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -58.34 -33.89 70.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LEU . 17.4 m -78.21 128.75 34.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.5 m 61.66 127.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.7 m -59.05 -178.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.049 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -72.6 -49.99 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -61.46 -34.39 75.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -35.79 59.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.546 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 16.1 m0 -65.17 124.96 88.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 139.56 24.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.29 102.28 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -110.68 173.99 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -119.56 141.22 49.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.577 ' SD ' HG22 ' A' ' 67' ' ' VAL . 5.4 tpp -107.52 101.75 11.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.554 ' ND2' HG21 ' A' ' 15' ' ' VAL . 42.9 t-20 -80.98 139.54 35.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 45.0 t -133.23 102.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.678 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -152.38 165.35 35.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.67 42.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.83 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 47.76 52.96 12.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 80' ' ' CYS . 23.2 m -144.88 156.15 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.6 t -120.74 103.67 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -113.62 119.02 36.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.577 HG22 ' SD ' ' A' ' 58' ' ' MET . 62.3 t -87.0 100.88 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 73' ' ' GLU . 6.9 mt -91.45 157.62 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -77.33 170.37 16.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -88.72 -44.0 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -63.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.39 161.64 14.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.492 ' O ' HD13 ' A' ' 68' ' ' ILE . 3.6 mt-10 -113.59 -32.35 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.32 -22.75 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -63.47 158.89 19.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.7 t -143.42 92.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.87 -50.4 72.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.721 HG21 ' OH ' ' A' ' 22' ' ' TYR . 8.9 t -144.69 142.15 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -126.56 102.19 7.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.544 ' O ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -111.74 150.4 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.275 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -125.34 139.69 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 63' ' ' ALA . 16.9 m -59.06 -19.24 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -27.83 38.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.99 1.18 39.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.81 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -78.89 153.73 30.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -39.66 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.859 ' HB2' HG12 ' A' ' 32' ' ' VAL . 76.1 t80 -178.19 174.08 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.48 ' HE3' HG12 ' A' ' 126' ' ' VAL . 21.3 ptp -170.23 -161.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 149.39 173.02 19.58 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.76 128.82 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.747 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.85 -179.0 2.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -41.76 -45.16 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.236 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -88.98 157.43 18.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 119' ' ' ALA . 33.7 m -83.92 -3.06 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 0.2 OUTLIER -105.07 17.2 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.565 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -125.45 125.6 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.492 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 48.2 t80 -133.99 128.11 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 111' ' ' HIS . . . -142.55 151.87 42.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.81 ' HB2' HD21 ' A' ' 85' ' ' LEU . 8.4 p90 -147.1 141.15 26.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.596 ' O ' HD23 ' A' ' 85' ' ' LEU . 18.0 mt -88.13 129.4 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 27.6 ptm -120.79 164.56 16.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.99 120.73 36.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -100.48 -45.93 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 105' ' ' ASN . . . 173.14 147.37 5.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 104' ' ' GLY . 3.3 m120 73.19 -170.59 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.66 46.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -128.68 137.03 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -127.4 136.4 51.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.469 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 54.4 mt-10 -103.25 138.82 39.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.0 t -120.24 104.85 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 63.0 m-70 -84.3 143.34 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.594 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.803 HG12 HD13 ' A' ' 23' ' ' LEU . 60.5 t -117.79 139.8 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 91.9 m-85 -146.02 161.42 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -113.88 110.94 20.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.051 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.51 ' HA ' HG12 ' A' ' 20' ' ' VAL . 6.5 m -104.57 147.43 27.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.274 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mt-10 -139.68 149.76 60.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.04 -17.36 20.17 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.938 -2.526 . . . . 0.0 111.038 -0.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 23.7 p30 -140.61 160.03 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -95.29 24.94 4.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.22 -45.82 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -67.62 -44.8 77.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 126' ' ' VAL . 4.7 t -60.97 -66.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.8 t -45.64 -39.02 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.85 -53.88 23.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.18 -28.45 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.48 HG12 ' HE3' ' A' ' 88' ' ' MET . 93.8 t -83.08 -53.97 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -57.07 -46.83 82.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.63 -33.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.751 ' CB ' HG11 ' A' ' 82' ' ' VAL . . . -80.1 -49.01 12.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.45 -45.84 69.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 108.277 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -64.2 -50.59 67.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.12 -146.77 18.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 99.94 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.97 160.99 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 m -101.55 130.49 47.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -162.27 161.84 27.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -163.35 112.13 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.03 159.83 29.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.0 166.89 27.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 p -173.6 133.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.77 153.48 25.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 72.8 p -123.75 133.76 24.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 110.385 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -75.03 71.16 5.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -92.82 130.71 38.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.6 t -92.85 161.12 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 170.04 155.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.21 127.93 34.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.889 HG22 ' HB2' ' A' ' 61' ' ' ALA . 93.4 t -129.88 150.94 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -119.98 109.77 15.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -104.2 125.3 50.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 20' ' ' VAL . 56.9 m-85 -124.13 111.43 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 103.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 18' ' ' PHE . 4.1 m -130.75 161.63 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 47.9 mt-30 -89.25 152.71 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.666 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -103.74 101.59 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.786 HD13 HG12 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -65.71 -45.33 83.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 145.38 161.1 8.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.463 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 28.8 ttp -97.17 107.05 19.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 27' ' ' PRO . 4.6 tt -108.77 127.64 26.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.575 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 163.55 35.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.441 1.759 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.43 HG13 ' C ' ' A' ' 27' ' ' PRO . 34.5 m -153.42 142.92 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.57 -41.41 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.65 114.65 51.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' C ' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.97 -2.25 12.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG13 ' C ' ' A' ' 31' ' ' PRO . 33.0 m -154.58 151.51 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.78 120.6 2.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -41.78 93.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -47.11 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 m -49.1 -48.66 44.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.39 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 4.2 tp -45.69 -59.87 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -58.31 -55.6 32.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -41.73 -40.44 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -61.98 -64.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.432 HG12 ' CG1' ' A' ' 112' ' ' VAL . 89.6 mt -48.07 -57.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -46.22 -36.36 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -64.57 -60.31 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.541 HD11 ' O ' ' A' ' 24' ' ' GLY . 13.5 mt -53.62 -47.36 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -64.44 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 p -74.76 56.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.408 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.76 -73.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.91 141.51 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -61.15 163.54 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 19.9 tttm -64.96 -46.82 79.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.02 -30.01 64.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -21.0 8.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.0 m0 -76.61 127.15 84.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 108.028 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.73 23.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.97 102.2 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.13 173.09 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -118.95 141.95 48.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.9 tpp -104.27 104.83 14.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -81.06 136.59 35.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.26 108.4 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -165.83 168.84 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 t70 40.45 33.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.89 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 54.23 54.34 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ALA . 51.9 m -145.7 153.36 40.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' CYS . 3.3 t -118.67 102.73 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -116.39 124.13 49.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.469 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 87.3 t -89.65 106.37 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 75' ' ' GLU . 16.2 mt -99.5 145.33 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -59.55 171.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -83.73 -46.1 12.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -99.47 64.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 170.32 171.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.3 mt-10 -133.73 -45.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -9.57 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.619 ' O ' HG23 ' A' ' 68' ' ' ILE . 1.1 tt0 -84.91 110.33 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -111.26 99.35 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.43 -53.16 61.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.666 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.6 t -131.33 148.42 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -133.23 101.45 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' VAL . 94.7 m -115.32 150.41 36.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 108.327 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -121.22 136.31 54.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.89 HG22 ' O ' ' A' ' 63' ' ' ALA . 7.5 m -60.92 -19.33 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -21.46 44.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -103.04 -19.98 14.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -49.0 174.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.417 ' H ' HD23 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -142.95 -46.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 88' ' ' MET . 19.2 t80 -167.52 167.25 13.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.511 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 21.0 ptp -167.32 -163.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.408 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 149.62 165.27 12.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 96' ' ' THR . 74.8 t -89.09 120.06 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -50.51 -177.25 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLY . 9.9 mmtt -39.88 -59.6 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.22 161.03 29.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 119' ' ' ALA . 35.2 m -85.8 -10.1 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.475 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -97.44 19.85 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.626 ' O ' HG13 ' A' ' 90' ' ' VAL . 12.0 p -126.6 139.02 53.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -145.86 145.57 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.453 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -164.08 149.69 10.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.901 ' HB2' HD21 ' A' ' 85' ' ' LEU . 16.3 p90 -145.58 143.67 30.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.403 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 14.5 mt -89.22 127.17 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.581 ' SD ' HG22 ' A' ' 103' ' ' THR . 1.6 ppp? -110.97 165.94 11.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -121.78 102.48 8.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.581 HG22 ' SD ' ' A' ' 101' ' ' MET . 74.6 p -69.27 -53.52 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -177.18 -85.94 0.06 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -56.43 -164.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -78.74 52.45 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.25 140.46 51.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.403 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 38.0 m-85 -136.03 134.58 38.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.463 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 27.7 mt-10 -115.71 127.56 55.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.0 103.39 12.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 39.9 m-70 -83.91 110.18 18.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.616 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.786 HG12 HD13 ' A' ' 23' ' ' LEU . 98.6 t -89.22 142.98 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 79.7 m-85 -146.66 161.93 39.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.475 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 5.2 t-105 -115.73 114.06 24.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.2 m -109.79 148.31 31.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.2 mt-10 -131.2 145.22 56.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.01 -37.28 2.29 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.009 0.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -126.84 154.65 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -87.81 43.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.08 -41.17 11.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.48 -38.44 49.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.79 -63.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 t -49.13 -36.28 18.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.59 -58.49 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.16 -29.55 2.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 76.4 t -81.67 -47.23 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -60.22 -58.17 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.98 -27.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 126' ' ' VAL . . . -75.32 -48.86 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.35 -56.99 8.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 108.275 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 t -44.59 -62.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.91 123.71 0.78 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 70.33 5.37 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.16 163.57 32.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.5 m -73.59 159.97 32.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.5 123.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.41 -59.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.64 172.1 30.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -103.41 160.36 14.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.39 166.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.944 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.67 149.12 21.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.22 2.76 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.6 p -129.51 157.59 75.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 152.02 40.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 12' ' ' THR . 21.1 mttt -166.28 175.74 8.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 11' ' ' LYS . 71.5 p 39.84 -160.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.89 134.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 14' ' ' LEU . 2.5 mm? -64.93 132.27 48.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.902 HG22 ' HB2' ' A' ' 61' ' ' ALA . 72.4 t -134.11 151.45 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.62 110.5 13.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -105.08 124.45 49.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -123.92 115.3 21.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 99.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 m -125.59 157.06 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 50.7 mt-30 -88.42 144.46 26.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.797 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -95.34 101.45 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.798 HD13 HG12 ' A' ' 112' ' ' VAL . 0.7 OUTLIER -65.04 -48.52 73.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.75 176.53 22.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.132 . . . . 0.0 111.036 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.403 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 24.9 ttp -110.62 110.17 20.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.404 HD13 ' HB3' ' A' ' 43' ' ' ASN . 3.1 tt -110.52 127.39 27.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.6 36.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -139.79 141.49 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.36 -45.24 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.38 115.08 46.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -4.24 15.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.8 m -149.97 145.5 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.59 141.73 4.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 mtp -82.61 -40.51 20.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -48.48 -65.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -51.8 -46.06 64.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.45 HD11 ' O ' ' A' ' 98' ' ' ALA . 2.8 tp -49.97 -65.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' A' ' 41' ' ' ILE . 36.9 m-80 -52.95 -52.25 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -44.52 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.01 79.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.459 HD13 ' HA3' ' A' ' 91' ' ' GLY . 69.9 mt -54.84 -63.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -46.88 -37.09 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.404 ' HB3' HD13 ' A' ' 26' ' ' LEU . 3.3 t-20 -64.74 -55.84 17.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 44' ' ' LEU . 9.7 mt -60.64 -38.57 85.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -54.66 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 p -70.15 -43.64 70.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 110.401 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.1 m -39.17 -85.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.0 m -95.01 155.09 16.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.449 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 17.4 m -71.81 174.11 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.05 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.586 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 2.1 tttt -66.69 -53.73 30.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.57 -34.99 79.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.12 -24.79 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.586 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 8.4 m0 -74.37 124.07 89.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.17 24.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.97 102.39 4.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.7 m -112.2 173.45 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 70' ' ' GLU . 69.9 m-20 -117.13 143.54 45.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 tpp -106.01 103.88 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -80.9 135.3 35.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.5 t -135.01 103.49 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.902 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -157.86 163.74 37.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t0 41.17 41.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.78 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 49.36 53.41 12.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.538 HG23 ' HG3' ' A' ' 81' ' ' ARG . 53.3 m -142.8 153.44 43.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.8 t -123.08 100.01 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.2 m -113.59 126.4 55.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -88.07 101.87 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 75' ' ' GLU . 6.9 mt -96.23 149.22 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.7 t -71.4 165.79 23.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 13.8 tt0 -82.41 -49.3 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -87.72 47.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.19 168.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -128.46 -48.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.86 -15.64 62.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.2 tt0 -78.25 108.81 11.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.536 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -108.1 94.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -50.84 -49.55 58.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.797 HG21 ' OH ' ' A' ' 22' ' ' TYR . 9.9 t -138.0 147.93 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -128.91 104.83 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.505 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 62.9 m -119.95 144.27 47.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.538 ' HG3' HG23 ' A' ' 64' ' ' THR . 18.6 mtt-85 -120.42 145.2 47.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.78 HG22 ' O ' ' A' ' 63' ' ' ALA . 5.2 m -63.64 -25.13 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.607 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -73.9 -14.88 61.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.607 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 2.3 m-85 -111.02 -3.7 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -72.22 144.05 48.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.2 m -114.08 -30.72 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 88' ' ' MET . 30.0 t80 -178.2 168.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.555 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -165.47 -149.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.67 158.42 9.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.1 t -77.99 138.03 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.459 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -76.13 -167.48 24.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -41.45 -68.83 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.802 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.3 OUTLIER -74.23 150.94 40.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 119' ' ' ALA . 33.3 m -80.23 -1.78 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 1.4 m80 -101.16 22.18 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.57 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 19.4 p -134.3 137.85 44.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.627 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 38.6 t80 -140.01 118.73 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.485 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -130.13 140.42 50.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.849 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.1 p90 -135.75 138.39 42.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.615 ' O ' HD23 ' A' ' 85' ' ' LEU . 39.1 mt -88.09 127.42 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.505 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 23.0 ptm -110.66 156.35 21.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -122.99 101.84 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -69.41 -42.7 74.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 164.87 -76.18 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.05 -169.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.28 52.56 1.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.42 140.27 51.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -138.75 119.3 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 4.4 mt-10 -105.22 131.94 52.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.485 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 9.0 t -109.26 104.29 13.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 79.6 m-70 -84.12 111.78 19.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.798 HG12 HD13 ' A' ' 23' ' ' LEU . 92.5 t -90.86 143.88 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.6 m-85 -146.81 165.17 30.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 23.4 t-105 -117.4 115.15 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 107.967 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.1 m -114.16 140.32 48.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.1 mp0 -126.55 149.25 67.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.5 Cg_endo -74.89 -22.63 13.61 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.067 -0.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 11.9 p30 -137.48 157.59 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -91.78 35.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -85.85 -51.5 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.55 -48.34 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 126' ' ' VAL . 9.2 t -61.85 -60.5 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 34.3 t -54.17 -26.4 27.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 2.9 mm-40 -80.47 -39.07 28.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 129' ' ' ALA . . . -70.15 -12.74 61.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.643 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 83.0 t -93.79 -56.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 18.2 pt20 -55.22 -48.55 73.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.483 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -67.07 -10.38 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 126' ' ' VAL . . . -86.01 -50.22 7.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.441 ' HA ' ' CG2' ' A' ' 82' ' ' VAL . 7.8 t -62.93 -53.11 59.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -62.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -45.08 154.44 0.46 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.115 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 81.6 p -157.76 124.43 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.57 82.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 m 66.83 138.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -102.42 154.19 19.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.51 132.89 18.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.17 -57.65 2.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.764 . . . . 0.0 109.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 179.8 155.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.37 164.0 25.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 109.13 2.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 p -121.03 91.79 48.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 104.8 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.483 1.781 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -176.26 69.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.236 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 t -145.39 23.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.16 169.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.39 148.3 5.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.914 HG22 ' CB ' ' A' ' 61' ' ' ALA . 75.5 t -128.93 153.6 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -124.5 109.77 13.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -105.31 123.9 48.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' HG22 ' A' ' 122' ' ' VAL . 64.9 m-85 -123.98 118.11 26.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.9 107.83 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 56' ' ' VAL . 6.4 m -133.82 157.36 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 67.0 mt-30 -88.39 149.9 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.678 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -100.67 101.92 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.78 HD13 HG12 ' A' ' 112' ' ' VAL . 1.3 mp -66.72 -41.94 87.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.499 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 134.1 162.53 10.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -88.53 133.5 34.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 27' ' ' PRO . 4.2 tt -131.5 127.54 21.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 151.12 39.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 26.7 m -138.17 169.21 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.44 -55.51 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -89.74 134.6 31.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.745 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.01 -7.76 19.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.772 HG12 ' HB2' ' A' ' 87' ' ' PHE . 19.9 m -136.39 -179.7 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.11 140.32 11.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' LEU . 99.6 mmm -78.94 -45.91 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -40.97 -57.3 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.45 ' CG2' ' HB ' ' A' ' 28' ' ' VAL . 8.5 m -63.47 -33.29 75.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 34' ' ' MET . 3.3 tp -61.79 -71.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -51.45 -52.45 46.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -41.86 -49.72 4.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.036 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.23 -58.36 8.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.543 HG12 HG22 ' A' ' 112' ' ' VAL . 81.8 mt -51.11 -65.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.648 ' O ' HG22 ' A' ' 46' ' ' THR . 14.5 mt-10 -38.58 -36.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -61.88 -65.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.499 HD11 ' O ' ' A' ' 24' ' ' GLY . 11.4 mt -49.67 -39.54 36.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -61.01 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 42' ' ' GLU . 5.8 t -80.68 64.88 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.44 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -171.35 -60.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -102.02 147.74 26.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 m -73.55 162.32 29.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 4.4 tttt -64.68 -52.0 59.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.56 -30.62 71.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.86 -19.3 11.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.4 m0 -82.65 126.05 74.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 108.014 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 137.4 21.46 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.57 102.57 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 20' ' ' VAL . 4.8 m -111.61 175.58 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -121.16 143.26 49.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 tpp -105.35 104.39 14.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -82.42 135.02 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.3 t -133.09 111.3 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.914 ' CB ' HG22 ' A' ' 15' ' ' VAL . . . -167.74 169.5 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 t0 39.84 34.48 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.658 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.61 55.67 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 80' ' ' CYS . 37.6 m -148.25 154.66 40.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 65' ' ' VAL . 3.0 t -119.46 99.89 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.447 ' CG2' HG23 ' A' ' 76' ' ' VAL . 43.3 m -111.74 120.28 41.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 77.3 t -85.54 101.58 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.2 mt -94.73 151.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -65.27 168.22 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -87.87 -48.25 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -90.03 50.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.16 146.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -123.47 70.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' VAL . 2.7 pt-20 178.11 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 7.8 tt0 -67.1 68.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.447 HG23 ' CG2' ' A' ' 66' ' ' THR . 0.9 OUTLIER -56.03 109.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mt -71.66 -48.29 48.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.678 HG21 ' OH ' ' A' ' 22' ' ' TYR . 9.5 t -142.27 141.85 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -123.68 114.99 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.65 ' O ' HG23 ' A' ' 64' ' ' THR . 10.8 t -119.39 148.05 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.301 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -121.26 132.43 54.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.658 HG21 ' HB1' ' A' ' 63' ' ' ALA . 4.4 m -57.89 -20.67 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -27.78 42.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -97.34 -23.63 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.835 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -47.57 161.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.7 -43.31 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.772 ' HB2' HG12 ' A' ' 32' ' ' VAL . 65.1 t80 -176.57 174.14 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.601 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 22.9 ptp -168.92 -159.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 150.15 155.54 6.88 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 t -82.66 118.43 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -49.66 178.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' GLY . 28.4 mttt -40.37 -52.01 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.406 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.5 OUTLIER -82.96 159.16 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 24.9 m -84.27 -11.83 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.1 OUTLIER -94.38 15.42 17.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.607 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 11.8 p -124.03 143.94 50.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.475 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 59.0 t80 -154.1 145.78 23.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.429 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -164.13 151.2 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.835 ' HB2' HD21 ' A' ' 85' ' ' LEU . 16.4 p90 -145.67 144.7 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.745 HG21 ' HA ' ' A' ' 31' ' ' PRO . 18.0 mt -88.53 126.37 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.416 ' O ' ' HA ' ' A' ' 108' ' ' PHE . 27.1 ptm -131.53 163.08 28.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -102.03 143.16 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.8 p -139.4 17.6 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.415 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -178.58 -145.15 5.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -101.43 122.12 43.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 54.76 18.38 2.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.48 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 10.8 mmt180 -104.26 143.01 33.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 107' ' ' ARG . 15.1 m-85 -139.16 134.13 32.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -124.01 137.54 54.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.7 t -111.86 118.81 36.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 108.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 79.5 m-70 -99.13 110.42 23.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.78 HG12 HD13 ' A' ' 23' ' ' LEU . 71.3 t -87.09 142.42 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 90.9 m-85 -146.78 167.48 23.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.41 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 5.1 t-105 -125.91 115.31 19.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.998 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.612 ' SG ' HG11 ' A' ' 122' ' ' VAL . 2.8 m -108.78 159.33 16.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 108.339 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mt-10 -143.92 146.56 34.82 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -13.09 23.76 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.998 -0.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 2.4 p30 -150.39 155.47 39.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.29 26.05 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.95 -60.5 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -67.33 -41.46 85.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.612 HG11 ' SG ' ' A' ' 115' ' ' CYS . 25.0 t -58.13 -32.54 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 17.7 t -87.38 -35.39 18.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 3.2 pt-20 -69.77 -47.01 64.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -57.01 -36.26 70.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 122' ' ' VAL . 76.6 t -75.55 -48.24 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 130' ' ' CYS . 5.4 mm-40 -59.76 -53.57 56.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.64 -33.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.482 ' CB ' HG11 ' A' ' 82' ' ' VAL . . . -76.01 -49.59 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 127' ' ' GLN . 36.2 t -53.52 -58.16 8.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.6 p 40.92 91.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.01 -82.31 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 59.04 5.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 53.2 p -87.41 -61.08 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.0 t -77.31 138.51 39.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.95 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 110.939 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.06 138.59 20.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 110.017 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -119.35 154.37 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.62 -163.94 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -111.73 108.99 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -46.88 136.15 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.6 171.19 34.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -84.82 150.73 56.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.56 8.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -130.56 56.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 p -114.7 138.35 50.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.373 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 59.2 153.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.03 154.15 42.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.615 HG22 ' HB2' ' A' ' 61' ' ' ALA . 69.0 t -128.29 144.43 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -112.74 109.25 18.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -108.98 125.99 52.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.513 ' O ' HG13 ' A' ' 20' ' ' VAL . 69.2 m-85 -128.81 118.65 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 102.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 18' ' ' PHE . 5.8 m -124.21 156.35 31.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 49.1 mt-30 -90.13 146.66 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.4 112.91 25.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.879 HD13 HG12 ' A' ' 112' ' ' VAL . 2.3 mp -77.94 -43.83 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.635 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 137.05 160.14 8.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 25' ' ' MET . 13.9 tmm? -87.99 131.83 34.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 tt -127.64 127.64 24.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.21 34.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.58 171.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.56 -60.7 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.28 133.86 77.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.2 Cg_endo -74.97 -12.08 21.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.943 HG12 ' HB2' ' A' ' 87' ' ' PHE . 15.9 m -137.4 -171.4 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.37 156.8 27.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.482 ' HE2' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -98.71 -45.92 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.996 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.6 -59.7 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 m -54.99 -42.65 72.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD22 ' HE2' ' A' ' 34' ' ' MET . 5.0 tp -52.98 -68.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 37.2 m-80 -52.71 -45.51 66.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -46.38 -41.89 14.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.48 -59.12 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.4 mt -47.08 -57.3 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 46' ' ' THR . 7.0 mt-10 -44.99 -44.2 9.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -59.29 -59.18 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 24' ' ' GLY . 12.8 mt -54.36 -43.79 71.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -60.48 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 42' ' ' GLU . 5.6 t -78.09 60.61 2.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.65 -67.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.968 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.8 m -100.26 153.82 18.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.44 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 5.7 m -73.51 173.44 9.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.599 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 18.0 tttm -73.82 -51.11 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.04 -36.4 83.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -48.98 -24.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.599 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.1 m0 -75.94 125.23 88.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.15 19.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 102.3 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 m -111.48 167.3 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -111.71 138.79 47.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.0 tpp -101.55 103.73 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 24.0 t-20 -80.71 137.81 36.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.514 HG11 ' O ' ' A' ' 125' ' ' ALA . 73.3 t -135.48 114.29 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.615 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -172.46 169.97 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t0 40.14 37.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.84 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 50.42 51.42 16.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 80' ' ' CYS . 51.8 m -145.46 154.25 42.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.6 t -121.37 102.54 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.8 m -111.18 129.63 55.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.45 104.58 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.8 mt -100.13 153.31 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -68.17 173.27 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -79.86 -42.38 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -87.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -50.99 149.99 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -109.18 -18.65 13.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -92.4 -17.4 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.79 105.12 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -103.58 98.54 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.05 -52.14 66.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.34 148.62 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -134.34 96.82 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.436 ' O ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -104.87 150.41 24.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 108.286 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -122.58 133.85 54.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 63' ' ' ALA . 4.4 m -59.44 -16.24 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -21.12 34.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -9.88 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -63.23 165.88 6.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.61 -43.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.943 ' HB2' HG12 ' A' ' 32' ' ' VAL . 56.9 t80 -173.48 172.82 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.593 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 16.8 ptp -169.9 -159.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 145.24 165.25 11.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 96' ' ' THR . 85.2 t -85.34 124.36 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.17 -175.08 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 70.7 mttt -43.6 -51.73 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.82 161.52 23.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 119' ' ' ALA . 22.8 m -85.2 -12.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -97.2 20.46 11.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 90' ' ' VAL . 1.9 p -126.03 135.9 52.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.452 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 54.7 t80 -145.69 134.12 21.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 111' ' ' HIS . . . -152.04 156.1 39.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.851 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.2 p90 -148.22 149.22 31.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.469 HG21 ' HA ' ' A' ' 31' ' ' PRO . 40.1 mt -92.45 126.8 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.4 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 24.8 ptm -115.74 165.04 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.23 121.14 34.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.8 p -107.45 -2.05 20.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.88 158.74 10.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 61.46 -175.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -81.47 49.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.78 142.0 51.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -138.31 133.39 32.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -106.1 137.11 44.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 51.0 t -115.08 110.2 19.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 60.7 m-70 -91.38 119.09 31.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.879 HG12 HD13 ' A' ' 23' ' ' LEU . 74.2 t -95.84 143.41 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 84.2 m-85 -146.67 167.79 22.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 17.8 t-105 -122.38 116.68 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 5.3 m -112.74 139.22 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mp0 -124.02 143.16 41.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -42.24 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.002 -0.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 1.7 p30 -120.33 157.29 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -89.59 38.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -83.78 -56.16 3.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -58.62 -50.0 75.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 126' ' ' VAL . 34.8 t -58.61 -69.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 23.0 t -45.99 -25.23 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 7.4 mm-40 -81.37 -43.59 18.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.514 ' O ' HG11 ' A' ' 60' ' ' VAL . . . -67.3 -12.53 60.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 63.5 t -96.07 -54.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.505 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 15.8 pt20 -54.97 -48.91 72.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -65.78 -12.38 53.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 126' ' ' VAL . . . -86.44 -26.16 24.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 40.7 t -80.71 -50.65 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 108.272 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -51.07 63.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.87 -157.33 15.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 150.57 38.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.537 1.809 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.2 t 60.0 89.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 90.2 p -127.85 145.31 50.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -147.19 97.37 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.94 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.81 -56.47 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.32 135.13 5.5 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -156.9 131.96 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 109.975 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -111.05 149.42 30.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.19 70.81 0.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.16 4.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -139.76 145.5 43.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.38 31.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.24 139.11 39.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.1 m -155.52 65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.51 122.14 8.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 129.14 40.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.173 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.891 ' HB ' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -114.65 163.24 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 8.1 mt-30 -127.73 113.76 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -93.98 120.77 34.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 95.9 m-85 -119.58 127.83 53.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.08 102.32 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 115' ' ' CYS . 29.5 m -124.74 163.73 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 36.6 mt-30 -91.94 145.24 24.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.507 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -96.08 100.99 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.786 HD13 HG12 ' A' ' 112' ' ' VAL . 1.1 mp -63.12 -48.45 78.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 147.27 162.1 9.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 18.6 ttp -94.58 115.85 28.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 0.738 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 27' ' ' PRO . 4.0 tt -116.61 127.32 26.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.444 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.02 157.0 42.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.9 m -138.4 -176.89 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.72 -59.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -82.08 136.57 46.89 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.1 Cg_endo -75.03 -19.21 17.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 m -130.3 166.46 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.91 139.29 6.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -44.57 13.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.85 -62.64 1.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -52.08 -42.56 63.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.37 -64.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -49.5 -57.01 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.3 -48.69 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.55 -58.55 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -48.37 -69.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 46' ' ' THR . 10.8 mt-10 -40.39 -40.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -53.92 -61.16 2.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD12 HG21 ' A' ' 112' ' ' VAL . 13.5 mt -52.49 -60.26 3.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -39.37 -64.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 46' ' ' THR . 14.6 t -73.26 58.95 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.89 -64.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.967 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.98 153.36 17.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 19.9 m -73.22 171.94 12.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 5.9 tttt -76.16 -53.55 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.58 -31.82 72.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.29 -22.13 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 8.3 m0 -78.37 123.4 85.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.07 22.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.564 1.823 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.54 101.89 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' VAL . 16.1 m -110.5 169.15 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 60.1 m-20 -116.51 141.36 48.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.1 tpp -105.2 102.05 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' OD1' HG21 ' A' ' 15' ' ' VAL . 20.0 t-20 -86.1 124.99 33.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.1 t -118.86 95.23 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.891 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . . . -142.14 166.67 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' ALA . 2.3 t70 37.82 44.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.904 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 45.97 52.1 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 80' ' ' CYS . 34.7 m -144.96 154.98 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' CYS . 4.0 t -118.08 103.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.6 m -113.76 117.51 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 44.5 t -84.55 107.97 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mt -102.63 152.64 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 t -65.87 169.96 5.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.79 -33.5 58.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -88.18 -93.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.89 151.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.85 -13.52 14.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -98.27 -20.44 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.33 101.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.505 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -99.47 93.56 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mt -52.59 -49.58 64.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.507 HG21 ' OH ' ' A' ' 22' ' ' TYR . 9.6 t -137.02 146.42 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -130.11 94.91 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.476 ' O ' HG23 ' A' ' 64' ' ' THR . 68.9 m -103.61 149.91 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.261 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -124.48 135.81 53.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.904 HG22 ' O ' ' A' ' 63' ' ' ALA . 6.4 m -61.15 -16.89 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -17.86 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -111.81 -2.68 15.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.844 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -67.05 162.21 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.7 m -126.58 -42.32 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 88' ' ' MET . 42.0 t80 -175.23 172.46 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.53 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 18.2 ptp -171.33 -161.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.19 -170.49 28.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 96' ' ' THR . 65.3 t -122.62 114.26 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.53 -162.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -40.91 -88.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -50.82 144.66 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 29.3 m -83.59 3.92 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.2 m80 -103.37 19.25 20.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.59 ' O ' HG13 ' A' ' 90' ' ' VAL . 16.6 p -126.7 136.74 52.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 50.3 t80 -143.52 130.5 20.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.703 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -149.01 148.91 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.844 ' HB2' HD21 ' A' ' 85' ' ' LEU . 39.9 p90 -142.24 143.37 32.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.436 HG21 ' HA ' ' A' ' 31' ' ' PRO . 36.4 mt -89.21 117.69 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.417 ' SD ' ' NE2' ' A' ' 111' ' ' HIS . 26.8 ptm -107.86 165.3 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -114.88 130.66 56.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.5 p -118.76 -55.55 2.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -123.9 -152.87 8.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -81.36 128.14 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 49.0 22.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.41 131.13 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 101' ' ' MET . 26.7 m-85 -140.03 152.1 45.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -137.91 121.5 17.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.703 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 47.5 t -95.71 108.19 20.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 108.275 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 68.3 m-70 -89.1 103.83 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.786 HG12 HD13 ' A' ' 23' ' ' LEU . 93.4 t -81.81 141.76 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.0 m-85 -145.94 167.2 23.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -119.69 112.72 19.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.981 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.591 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.1 m -106.38 144.74 32.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.3 mp0 -132.19 147.37 65.52 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.3 Cg_endo -75.05 -12.93 24.01 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.024 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 118' ' ' ASN . 0.0 OUTLIER -150.96 157.68 43.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.459 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -88.94 41.69 1.04 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.91 -44.66 9.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -76.4 -43.28 41.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.473 HG11 ' SG ' ' A' ' 115' ' ' CYS . 2.5 t -59.87 -62.11 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.6 t -50.07 -40.08 44.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.28 -56.1 11.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.85 -37.99 15.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.57 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 88.0 t -72.74 -48.12 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -58.01 -51.96 67.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.55 -27.31 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -75.24 -49.4 19.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 18.4 t -60.47 -60.36 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 108.326 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.7 -50.83 42.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.37 153.58 24.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 118.85 5.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 m 62.24 115.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m 56.12 -94.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -154.76 141.97 19.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.15 -54.79 2.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.46 -145.45 44.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.53 -62.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.028 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.16 139.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.4 88.58 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -64.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.0 p 44.87 88.86 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.46 15.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HG2' HG23 ' A' ' 15' ' ' VAL . 1.9 mtpp 62.73 130.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 t -113.49 -14.94 12.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -164.77 47.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.78 -171.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.738 HG22 ' HB2' ' A' ' 61' ' ' ALA . 92.3 t -133.61 140.8 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -112.81 109.4 18.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -109.57 122.3 47.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -122.52 117.23 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -65.17 106.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 m -131.59 159.39 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.1 mt-30 -88.76 143.77 26.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.741 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -96.03 107.48 19.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.735 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -71.84 -43.38 65.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.587 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 142.21 155.95 6.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 12.5 ttp -93.07 108.49 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -110.28 139.31 21.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.97 166.17 29.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 100' ' ' ILE . 5.7 m -150.78 129.62 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -50.36 68.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.47 120.76 71.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 18.2 Cg_endo -74.96 -9.62 20.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.83 139.8 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.47 139.53 3.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -44.89 20.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 111.062 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.99 -59.94 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 m -56.34 -44.61 80.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.54 -60.66 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -58.41 -48.21 81.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -43.78 -43.97 6.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.09 -52.35 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.436 HG12 HG22 ' A' ' 112' ' ' VAL . 68.3 mt -55.29 -62.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -42.98 -42.42 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.415 ' ND2' HD11 ' A' ' 26' ' ' LEU . 44.8 t-20 -56.26 -60.05 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.587 HD11 ' O ' ' A' ' 24' ' ' GLY . 14.9 mt -54.79 -49.32 71.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -63.93 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.0 p -76.49 62.0 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -163.92 -68.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 m -100.65 151.93 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m -71.47 167.61 19.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 23.2 tttm -69.41 -49.06 58.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.95 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.38 -25.29 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.592 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -72.99 122.87 88.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 138.55 23.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.03 102.62 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 m -112.56 179.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -123.37 150.73 43.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.8 ttm -112.12 104.65 12.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -80.7 136.25 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.5 t -135.94 105.51 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.738 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -161.56 167.84 24.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 9.6 t0 40.26 34.42 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.777 ' HA ' ' HB1' ' A' ' 129' ' ' ALA . . . 55.18 55.28 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.467 HG23 ' CG ' ' A' ' 81' ' ' ARG . 17.6 m -145.19 156.23 43.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG11 ' CE2' ' A' ' 99' ' ' PHE . 2.8 t -123.93 99.75 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.427 HG23 HG23 ' A' ' 76' ' ' VAL . 62.1 m -113.75 129.4 56.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.434 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 57.7 t -90.11 103.31 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 75' ' ' GLU . 7.3 mt -98.23 148.18 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.4 t -61.03 170.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -77.98 -41.72 35.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -89.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -45.89 155.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.38 -16.32 12.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.73 -26.3 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.0 tt0 -64.79 110.07 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.546 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -108.32 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mt -53.09 -55.51 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.741 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.4 t -126.95 148.36 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -129.14 97.17 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.443 ' SG ' ' HE3' ' A' ' 101' ' ' MET . 99.1 m -115.84 150.29 37.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.467 ' CG ' HG23 ' A' ' 64' ' ' THR . 70.2 mtt180 -121.94 -174.97 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.605 HG21 ' HB1' ' A' ' 63' ' ' ALA . 10.3 m -97.26 -33.77 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -67.11 -16.14 64.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 102' ' ' ASP . 18.7 m-85 -106.99 -9.39 16.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -68.87 142.48 54.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.41 -32.26 5.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 88' ' ' MET . 27.3 t80 -177.84 168.88 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.488 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -163.05 -150.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.7 159.24 10.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 96' ' ' THR . 16.2 t -80.11 138.46 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.93 -168.55 4.4 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -45.01 -62.37 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 0.803 . . . . 0.0 109.371 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.09 162.68 27.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.8 m -84.66 -10.02 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 0.1 OUTLIER -96.95 15.64 21.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 90' ' ' VAL . 8.8 p -123.81 136.68 54.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.44 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 55.3 t80 -145.45 147.27 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.51 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -163.95 144.91 8.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.858 ' HB2' HD21 ' A' ' 85' ' ' LEU . 30.6 p90 -136.36 139.93 42.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.6 HD13 HG21 ' A' ' 28' ' ' VAL . 34.8 mt -87.86 125.34 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.691 ' SD ' HG22 ' A' ' 103' ' ' THR . 2.4 ppp? -113.2 165.79 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 84' ' ' PHE . 1.5 t70 -108.11 102.45 11.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.691 HG22 ' SD ' ' A' ' 101' ' ' MET . 63.9 p -78.55 -47.1 17.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.54 158.04 7.41 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 106' ' ' GLN . 2.2 m120 63.16 60.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' ASN . 5.3 mt-30 37.22 41.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.8 134.11 50.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.501 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 26.2 m-85 -124.62 154.73 40.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.444 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 16.4 mm-40 -132.9 133.53 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.479 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 7.1 t -105.81 125.03 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 59.4 m-70 -103.44 102.36 12.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.735 HG12 HD13 ' A' ' 23' ' ' LEU . 72.1 t -80.13 142.2 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 80.8 m-85 -146.88 166.82 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.409 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 15.0 t-105 -120.67 113.19 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.3 m -110.74 142.24 42.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.8 mt-10 -127.26 143.38 46.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.99 -38.59 1.73 Allowed 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.993 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -125.56 150.75 47.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.44 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -88.24 44.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.59 -48.41 8.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.19 -47.33 84.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.8 -70.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 t -40.82 -36.05 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.06 -53.29 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.43 64.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 96.2 t -65.95 -52.53 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -62.15 -47.16 85.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.27 -24.16 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.777 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -82.79 -49.42 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 44.9 t -62.49 -61.32 2.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 108.337 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.7 83.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -112.23 -158.59 14.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 82.73 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.8 m -53.46 -56.33 17.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.2 t 59.88 96.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.18 102.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.96 154.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.93 148.68 7.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -155.45 -65.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.64 167.62 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.43 151.67 20.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.81 20.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.1 p -122.28 93.84 48.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.33 18.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 137.66 54.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -143.08 173.97 11.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.3 153.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 160.96 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.894 HG22 ' HB2' ' A' ' 61' ' ' ALA . 78.9 t -133.8 142.08 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -118.35 109.47 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.635 ' HD3' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -105.65 129.79 53.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.401 ' CG ' HG22 ' A' ' 122' ' ' VAL . 66.9 m-85 -131.3 121.04 24.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' NH1' ' OE2' ' A' ' 70' ' ' GLU . 3.6 ttt180 -68.74 107.4 3.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.408 HG11 ' SG ' ' A' ' 115' ' ' CYS . 4.3 m -132.41 158.97 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' LYS . 59.8 mt-30 -88.66 146.62 24.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.667 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -99.28 105.78 17.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.8 HD13 HG12 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -71.66 -47.29 55.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.2 178.33 21.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.53 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 26.5 ttp -109.05 119.31 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.793 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 27' ' ' PRO . 2.4 tt -117.59 127.95 26.33 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.416 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.02 153.67 41.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 m -144.36 153.73 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.65 -46.2 9.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.2 118.33 71.88 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -4.74 15.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.9 m -144.52 156.77 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.05 148.33 7.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -44.35 9.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 0.804 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -66.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -51.84 -46.44 64.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.43 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 ' O ' ' A' ' 89' ' ' GLY . 2.6 tp -49.9 -53.48 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -67.35 -55.96 11.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.11 -40.47 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.98 -48.97 77.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.2 -62.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -40.81 -38.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.87 -63.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -54.75 -36.4 64.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -61.55 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -69.34 -15.81 63.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -65.51 -68.68 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -112.49 159.66 18.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 2.2 m -74.32 171.69 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.588 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.1 tttm -67.11 -50.75 60.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -67.71 -31.32 71.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -19.66 18.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.588 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.9 m0 -80.6 124.44 82.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.025 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.42 24.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.61 102.25 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.4 m -110.35 175.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -118.67 143.94 46.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.9 tpp -107.6 102.57 11.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -80.86 136.94 36.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.4 t -135.43 103.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.894 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -157.0 166.43 33.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ALA . 2.0 t0 40.28 36.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.767 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.15 55.75 8.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 80' ' ' CYS . 45.3 m -145.89 154.93 42.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.8 t -120.14 99.64 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.8 m -112.2 119.37 38.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.44 100.6 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 75' ' ' GLU . 6.4 mt -94.91 143.68 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.672 ' HA ' HD11 ' A' ' 77' ' ' LEU . 31.2 t -59.91 161.81 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' OE2' ' NH1' ' A' ' 19' ' ' ARG . 8.2 tt0 -74.38 -51.33 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -65.41 -85.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -60.78 151.18 30.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -110.46 -26.21 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.98 -9.08 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.785 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.3 tm-20 -81.71 138.33 35.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.34 99.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 69' ' ' SER . 6.7 mt -61.86 -52.08 65.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.667 HG21 ' OH ' ' A' ' 22' ' ' TYR . 7.2 t -145.52 144.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -124.28 112.84 17.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.591 ' O ' HG23 ' A' ' 64' ' ' THR . 3.6 t -119.89 149.57 41.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 108.285 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -124.55 133.57 53.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.767 HG21 ' HB1' ' A' ' 63' ' ' ALA . 7.3 m -58.07 -19.65 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.619 ' CZ ' ' CE2' ' A' ' 84' ' ' PHE . 1.9 ppt_? -79.91 -15.56 57.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.619 ' CE2' ' CZ ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -111.05 -3.5 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.865 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.81 148.24 42.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -114.74 -32.3 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.6 ' CE1' ' O ' ' A' ' 88' ' ' MET . 38.5 t80 -176.89 172.38 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.6 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -163.31 -149.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.577 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 126.51 155.16 8.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 96' ' ' THR . 84.9 t -77.75 140.98 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.31 -169.79 10.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -42.9 -62.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.85 162.25 27.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.0 m -84.7 -12.78 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -93.83 17.72 11.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.797 ' O ' HG13 ' A' ' 90' ' ' VAL . 5.1 p -126.25 133.85 51.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.604 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 49.0 t80 -138.03 139.31 39.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 111' ' ' HIS . . . -150.82 148.04 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.865 ' HB2' HD21 ' A' ' 85' ' ' LEU . 9.4 p90 -141.69 137.12 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.753 ' O ' HD23 ' A' ' 85' ' ' LEU . 61.0 mt -88.1 125.16 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.419 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 24.1 ptm -117.21 152.06 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -107.02 105.3 15.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.715 HG21 ' CD ' ' A' ' 109' ' ' GLU . 55.1 p -83.53 -18.23 39.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 105' ' ' ASN . . . 113.05 159.75 13.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' GLN . 7.1 m-20 65.26 61.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' ASN . 4.5 mt-30 35.81 36.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -116.59 127.44 54.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -127.95 128.8 45.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.715 ' CD ' HG21 ' A' ' 103' ' ' THR . 66.9 mt-10 -108.9 138.32 45.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 t -116.94 107.3 14.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 89.5 m-70 -89.76 121.94 32.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.8 HG12 HD13 ' A' ' 23' ' ' LEU . 87.1 t -98.46 139.81 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 89.3 m-85 -146.1 164.43 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.548 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 5.5 t-105 -124.31 119.3 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.408 ' SG ' HG11 ' A' ' 20' ' ' VAL . 3.2 m -115.22 151.74 33.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.513 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.3 mt-10 -129.86 142.56 45.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -50.07 0.2 Allowed 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.044 -0.036 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -113.43 149.26 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.604 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -88.52 42.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 124' ' ' GLU . . . -79.2 -56.51 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.32 -54.66 37.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 126' ' ' VAL . 55.1 t -51.17 -29.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.3 t -89.83 -28.43 19.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.526 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 2.8 pt-20 -76.92 -47.69 20.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.526 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -55.96 -35.33 66.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 122' ' ' VAL . 63.3 t -72.83 -52.79 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.413 ' C ' ' N ' ' A' ' 129' ' ' ALA . 4.3 mm-40 -55.71 -55.12 36.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.54 -27.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.506 ' CB ' HG11 ' A' ' 82' ' ' VAL . . . -86.25 -55.69 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.7 m -50.7 -43.94 57.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.3 t -60.85 -57.63 11.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 136.85 -160.57 24.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 179.19 6.3 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.524 1.802 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.47 130.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.7 m -80.33 121.38 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 p -131.11 130.07 42.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -169.47 122.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.92 111.17 0.47 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 p -149.08 143.17 25.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.79 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.44 150.64 24.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.45 174.72 33.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.87 4.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 7.9 t -87.51 145.91 38.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -75.01 137.18 21.36 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.798 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -79.05 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.5 p -126.64 90.54 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.411 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -116.34 150.48 37.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.07 149.3 24.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.105 HG22 ' HB2' ' A' ' 61' ' ' ALA . 77.2 t -125.57 148.78 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -123.5 109.96 14.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -105.86 127.35 53.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -130.23 115.61 17.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 55' ' ' SER . 1.6 ttt180 -65.1 99.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' VAL . 26.1 m -123.24 156.6 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.431 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.2 mt-30 -88.75 139.45 30.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.571 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -91.9 103.0 15.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.825 HD13 HG12 ' A' ' 112' ' ' VAL . 1.1 mp -66.78 -47.96 70.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.522 ' C ' HD11 ' A' ' 44' ' ' LEU . . . 149.62 179.33 25.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 11.3 ttp -112.52 116.74 30.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tt -118.26 127.47 26.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.25 33.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.8 m -136.56 146.14 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.06 -45.55 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 115.51 46.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.39 19.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 87' ' ' PHE . 20.7 m -146.19 154.94 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.17 153.79 8.73 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mtp -97.44 -45.47 6.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 111.037 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.56 -66.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -53.35 -48.45 68.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.705 HD21 ' O ' ' A' ' 89' ' ' GLY . 2.7 tp -44.98 -49.78 11.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -65.7 -56.38 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.6 t -41.84 -44.81 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.59 75.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.37 -62.19 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -39.48 -32.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -70.86 -66.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.522 HD11 ' C ' ' A' ' 24' ' ' GLY . 8.5 mt -52.27 -25.49 9.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -45.33 86.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.3 p -85.31 -24.51 27.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -56.79 -66.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -113.51 158.91 20.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.452 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 11.2 m -73.65 175.25 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 10.6 tttm -67.64 -52.92 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.37 -41.33 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -45.11 -26.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.605 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -73.46 122.06 86.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.003 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' O ' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.97 132.14 15.12 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -67.25 102.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 54' ' ' PRO . 11.4 m -113.66 171.44 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -115.1 147.68 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.9 ttm -109.82 101.03 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 18.8 t-20 -81.14 131.4 35.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.494 HG22 HG22 ' A' ' 65' ' ' VAL . 48.4 t -135.24 106.39 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 1.105 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -138.58 147.41 42.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.99 -73.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.748 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -179.31 35.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 80' ' ' CYS . 25.9 m -128.92 155.12 45.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.494 HG22 HG22 ' A' ' 60' ' ' VAL . 4.3 t -119.32 101.47 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.724 HG22 HG23 ' A' ' 76' ' ' VAL . 27.7 m -108.25 119.22 38.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' LEU . 56.2 t -84.4 105.92 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 73' ' ' GLU . 36.6 mt -98.72 156.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -82.81 170.08 15.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -84.61 -37.88 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -73.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -107.45 -176.7 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 68' ' ' ILE . 43.8 mm-40 -109.71 -49.34 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.62 -19.34 25.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.33 71.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.724 HG23 HG22 ' A' ' 66' ' ' THR . 2.2 p -72.21 104.36 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' VAL . 5.3 mt -61.8 -53.35 57.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.571 HG21 ' OH ' ' A' ' 22' ' ' TYR . 5.1 t -138.85 153.74 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -134.16 107.11 7.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.641 ' O ' HG23 ' A' ' 64' ' ' THR . 2.4 t -112.04 145.96 38.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -123.49 136.9 54.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.748 HG21 ' HB1' ' A' ' 63' ' ' ALA . 16.0 m -59.87 -22.93 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 84' ' ' PHE . 0.5 OUTLIER -77.72 -24.98 48.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -103.46 3.3 34.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.909 HD23 ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -81.97 151.77 27.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 m -115.8 -34.54 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 88' ' ' MET . 39.2 t80 -178.26 172.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.605 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -162.43 -149.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.705 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 126.49 153.0 8.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 96' ' ' THR . 69.5 t -78.12 147.22 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.36 -165.55 36.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -40.41 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.53 160.65 28.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' HG11 ' A' ' 90' ' ' VAL . 32.7 m -83.67 -9.76 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 1.5 m80 -89.07 11.22 19.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.556 ' O ' HG13 ' A' ' 90' ' ' VAL . 4.4 p -125.02 135.27 52.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -139.01 143.72 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.618 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -155.97 151.48 27.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.756 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.1 p90 -145.38 139.87 27.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.909 ' O ' HD23 ' A' ' 85' ' ' LEU . 43.4 mt -88.07 128.58 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.477 ' HE3' ' HB2' ' A' ' 101' ' ' MET . 27.3 ptm -128.58 165.09 21.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -111.96 124.02 51.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.8 p -114.52 -52.36 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.77 -147.38 9.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -79.8 -67.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.746 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -115.95 14.52 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -89.24 154.91 19.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -139.66 141.67 37.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.414 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 25.2 mm-40 -121.59 145.9 47.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.618 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 48.6 t -121.83 113.06 19.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 67.4 m-70 -92.28 110.28 21.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.825 HG12 HD13 ' A' ' 23' ' ' LEU . 88.5 t -86.48 141.55 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 93.9 m-85 -146.98 167.3 24.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.506 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 10.7 t-105 -123.06 119.8 31.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.2 m -115.61 148.01 40.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.3 mt-10 -132.32 145.43 57.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.0 Cg_endo -75.05 -33.82 3.81 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.974 0.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 118' ' ' ASN . 0.0 OUTLIER -128.82 153.39 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -90.38 40.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -90.33 -29.67 17.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -84.63 -34.1 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.242 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.35 -62.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 t -49.88 -37.58 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 9.1 mm-40 -64.3 -59.24 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.68 -30.48 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.494 HG22 ' CG2' ' A' ' 65' ' ' VAL . 97.1 t -82.35 -52.25 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.539 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 2.8 mm-40 -56.91 -54.04 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.68 -32.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.662 ' CB ' HG11 ' A' ' 82' ' ' VAL . . . -75.9 -59.7 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 38.9 t -43.76 -46.23 7.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.287 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -60.01 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 148.49 -91.62 0.14 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.3 42.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.89 -29.76 10.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.021 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.82 94.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -164.11 138.24 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -147.15 170.62 16.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.64 172.94 18.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -131.69 161.12 33.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -133.16 167.65 19.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.37 -178.16 15.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.8 3.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.9 p -118.47 89.64 37.05 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.73 38.33 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.13 128.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -151.92 155.72 38.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.3 mt-10 -134.89 163.17 30.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -57.41 138.85 54.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.855 HG22 ' HB2' ' A' ' 61' ' ' ALA . 80.7 t -130.82 151.96 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -125.43 110.6 14.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -102.4 131.75 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -130.39 113.98 15.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -65.63 108.68 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 115' ' ' CYS . 11.7 m -134.34 154.95 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 50' ' ' LYS . 59.7 mt-30 -88.44 143.43 26.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.621 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -94.11 106.16 18.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -73.84 -44.71 54.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.42 162.4 9.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -90.01 131.87 35.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tt -130.05 127.53 22.69 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.52 38.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.87 147.11 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.01 -50.51 14.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 115.38 55.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.602 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.0 -7.79 19.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.449 1.763 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 87' ' ' PHE . 31.2 m -138.88 147.96 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.75 165.09 11.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.32 -40.34 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.58 -64.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -52.57 -48.44 66.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 98' ' ' ALA . 2.3 tp -45.75 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 58.4 m-80 -48.79 -53.38 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.54 -53.87 4.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.29 -54.19 39.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.87 -56.5 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.489 ' O ' HG23 ' A' ' 46' ' ' THR . 3.3 mt-10 -51.39 -49.24 61.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -54.33 -48.91 70.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' MET . 13.3 mt -64.71 -50.86 65.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -36.75 -65.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 42' ' ' GLU . 81.6 p -38.4 -63.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -67.22 145.33 55.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 47' ' ' SER . 63.5 m 61.69 129.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 19.3 m -77.52 177.06 8.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -62.28 -48.47 79.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -65.79 -38.74 89.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.17 -23.12 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.532 ' CH2' HD21 ' A' ' 23' ' ' LEU . 15.3 m0 -81.05 123.85 81.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' O ' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.96 130.05 12.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.39 102.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 54' ' ' PRO . 5.8 m -111.11 176.68 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -120.91 151.65 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.6 ttm -113.65 105.67 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -82.89 137.35 34.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.4 t -135.34 109.41 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.855 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -163.98 168.57 19.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' ALA . 4.8 t0 39.83 36.53 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.612 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.25 55.09 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 80' ' ' CYS . 2.6 m -145.2 160.54 41.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.565 HG21 HG13 ' A' ' 126' ' ' VAL . 3.6 t -129.13 99.67 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.623 HG23 HG13 ' A' ' 76' ' ' VAL . 18.8 m -114.06 125.9 54.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.418 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 59.9 t -86.56 105.64 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.87 144.06 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.497 ' HA ' HD11 ' A' ' 77' ' ' LEU . 4.2 t -60.3 170.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -92.51 -47.54 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.3 50.27 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 167.13 98.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.73 56.61 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.32 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.85 116.56 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.623 HG13 HG23 ' A' ' 66' ' ' THR . 41.0 t -95.39 103.33 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 69' ' ' SER . 6.1 mt -65.55 -60.53 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.621 HG21 ' OH ' ' A' ' 22' ' ' TYR . 2.7 t -126.16 143.99 37.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -119.61 97.27 5.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' VAL . 72.4 m -115.84 150.47 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.569 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 72.8 mtt-85 -123.88 -174.59 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.612 HG21 ' HB1' ' A' ' 63' ' ' ALA . 12.4 m -99.08 -31.34 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -71.48 -16.97 62.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 20.2 m-85 -107.45 -3.69 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.846 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -74.54 147.55 41.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -114.27 -38.57 4.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 88' ' ' MET . 38.6 t80 -178.17 171.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.529 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 10.2 ptp -170.58 -157.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.21 -175.13 26.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 119' ' ' ALA . 77.0 t -103.71 119.73 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -49.52 178.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.434 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 2.7 mttm -40.43 -51.43 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -81.98 161.91 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 119' ' ' ALA . 32.6 m -83.95 -8.68 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.402 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -102.7 25.53 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.634 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 p -130.88 127.54 38.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.423 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 49.7 t80 -137.49 127.42 25.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.441 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -143.87 151.69 40.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.846 ' HB2' HD21 ' A' ' 85' ' ' LEU . 8.2 p90 -145.37 145.19 31.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.602 HG21 ' HA ' ' A' ' 31' ' ' PRO . 15.4 mt -90.8 125.59 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 19.0 ptm -110.54 164.02 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -124.33 107.69 11.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.4 p -86.86 -56.7 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -179.6 146.66 7.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 105' ' ' ASN . 0.8 OUTLIER 72.08 -168.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -82.11 50.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.71 142.55 50.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -138.92 128.85 25.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -104.03 133.84 48.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.4 t -112.51 110.94 21.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 51.2 m-70 -92.37 117.45 29.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 23' ' ' LEU . 78.7 t -95.23 143.93 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.5 m-85 -146.85 165.21 30.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.402 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 8.0 t-105 -117.88 112.69 20.69 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.479 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.3 m -105.7 146.29 29.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.9 mt-10 -132.06 142.73 46.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -74.98 -44.51 0.55 Allowed 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.044 -0.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 11.9 p30 -116.74 157.07 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.369 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -90.59 38.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -88.72 -40.68 13.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -73.15 -40.87 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.6 t -64.36 -65.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 5.8 t -46.72 -39.6 11.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.08 -58.6 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.359 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.01 -32.84 48.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.693 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 79.4 t -77.9 -47.86 24.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 123' ' ' SER . 6.8 mm-40 -58.93 -54.13 50.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.01 -24.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 126' ' ' VAL . . . -72.18 -50.15 30.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 37.5 t -68.67 -64.77 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.19 85.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -124.59 -130.72 3.57 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -37.71 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 97.2 p -69.16 122.9 19.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.965 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.75 151.31 30.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -147.39 -58.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 0.822 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 61.79 153.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.48 -70.43 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.64 168.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.83 151.57 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.051 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.14 93.93 0.53 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 98.84 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 97.6 m -79.75 141.44 55.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -74.94 -170.24 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 175.19 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.8 p -99.46 75.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.72 162.1 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.25 137.28 48.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.844 HG22 ' CB ' ' A' ' 61' ' ' ALA . 94.7 t -127.42 152.35 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 18.8 mt-30 -123.04 110.03 14.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -103.01 125.58 49.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 79.9 m-85 -125.5 112.98 16.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.3 100.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' VAL . 17.4 m -125.45 158.22 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.57 145.79 25.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.635 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -96.69 102.38 14.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -66.65 -47.69 71.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 141.66 165.03 10.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -93.25 133.38 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 0.803 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tt -134.63 127.39 18.55 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.22 36.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.97 163.54 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.03 -42.72 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.2 mtt85 -94.24 129.32 37.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.088 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -9.26 20.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 87' ' ' PHE . 11.4 m -139.66 178.59 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.83 145.08 17.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.81 -45.58 11.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -43.92 -61.61 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -54.88 -39.96 69.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.44 -61.09 2.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -53.42 -53.02 57.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.71 -46.88 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.7 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' A' ' 98' ' ' ALA . 90.9 mt -48.3 -65.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 46' ' ' THR . 10.2 mt-10 -40.91 -43.78 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -52.7 -60.84 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.407 HD11 ' O ' ' A' ' 24' ' ' GLY . 12.9 mt -52.43 -58.08 7.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -62.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 46' ' ' THR . 12.2 t -73.85 59.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.8 -57.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -108.37 157.27 18.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 m -72.99 169.31 17.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 10.4 tttm -75.15 -51.07 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -66.04 -31.56 72.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -30.58 24.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 8.8 m0 -68.59 128.63 92.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 107.971 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.8 22.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.46 102.35 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' VAL . 8.4 m -112.36 168.79 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -112.92 141.91 46.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 tpp -105.37 107.11 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -82.84 136.91 34.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.8 t -135.41 109.88 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.844 ' CB ' HG22 ' A' ' 15' ' ' VAL . . . -167.54 169.91 11.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t70 40.36 32.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.699 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 54.47 53.53 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 80' ' ' CYS . 49.9 m -146.28 153.91 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.82 104.61 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.446 ' CG2' HG23 ' A' ' 76' ' ' VAL . 94.4 m -116.64 119.99 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' VAL . 57.7 t -85.52 107.95 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.409 HG21 ' HA ' ' A' ' 73' ' ' GLU . 16.6 mt -101.99 156.13 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.3 t -77.24 167.36 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 7.4 tt0 -83.1 -49.0 9.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 46.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 167.61 150.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HA ' HG21 ' A' ' 68' ' ' ILE . 5.8 pt-20 -113.67 -28.53 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -90.9 17.33 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -108.39 77.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG23 ' CG2' ' A' ' 66' ' ' THR . 1.3 p -76.41 96.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.74 -42.75 99.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.635 HG21 ' OH ' ' A' ' 22' ' ' TYR . 5.4 t -145.33 143.08 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -128.12 114.45 17.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 64' ' ' THR . 0.5 OUTLIER -125.05 150.16 47.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.437 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 16.2 mtt85 -123.29 138.4 54.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.699 HG21 ' HB1' ' A' ' 63' ' ' ALA . 5.3 m -61.48 -14.8 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.625 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -82.95 -16.06 48.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -111.47 -15.54 13.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.862 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -58.24 153.44 15.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.81 -36.32 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 88' ' ' MET . 44.2 t80 -178.16 174.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.598 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.41 -148.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.93 154.21 7.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.0 t -79.39 126.43 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.5 -176.91 0.32 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.55 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.68 166.41 15.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 30.1 m -86.07 -12.3 11.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.6 OUTLIER -97.93 27.3 4.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.613 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.6 p -130.07 143.67 50.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -150.79 137.8 19.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.427 ' HB3' HD11 ' A' ' 41' ' ' ILE . . . -153.75 142.72 21.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.862 ' HB2' HD21 ' A' ' 85' ' ' LEU . 9.3 p90 -136.51 138.34 41.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.667 ' O ' HD23 ' A' ' 85' ' ' LEU . 26.5 mt -87.92 131.36 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.509 ' SD ' ' CD2' ' A' ' 111' ' ' HIS . 27.9 ptm -126.75 164.93 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.56 122.49 45.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.629 HG21 ' OE2' ' A' ' 109' ' ' GLU . 32.1 p -105.56 -15.15 15.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.35 149.47 4.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.05 -156.7 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -89.71 16.2 8.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -89.36 141.09 28.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -135.97 136.83 40.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.629 ' OE2' HG21 ' A' ' 103' ' ' THR . 61.1 mt-10 -108.9 140.53 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.7 t -120.68 104.14 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.268 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 79.9 m-70 -84.47 110.85 18.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.793 HG12 HD13 ' A' ' 23' ' ' LEU . 96.9 t -89.34 142.67 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 93.2 m-85 -146.82 167.48 23.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -121.45 115.58 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.029 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.5 m -111.82 149.05 32.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 16.4 mt-10 -135.94 151.13 73.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.577 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.2 Cg_endo -75.04 -9.66 24.13 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.956 0.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 3.0 p30 -155.61 153.96 30.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.1 42.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.82 -39.87 12.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -76.47 -40.74 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 126' ' ' VAL . 13.3 t -63.85 -66.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.6 t -47.02 -37.61 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.2 -56.08 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.06 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.531 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 96.7 t -73.48 -50.45 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 130' ' ' CYS . 1.0 OUTLIER -59.38 -54.02 51.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.29 -27.44 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.572 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -78.27 -45.16 23.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 127' ' ' GLN . 42.2 t -63.55 -55.93 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.1 m -94.46 78.59 3.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -61.47 -158.78 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.24 2.89 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.479 1.779 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 94.5 p -117.03 118.28 31.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.71 169.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.56 106.48 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 110.042 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.13 157.25 9.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.14 63.03 1.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t -57.15 126.58 27.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -161.54 111.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.85 121.05 3.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 176.67 9.59 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 p -62.68 157.74 56.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.18 18.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.546 1.813 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.8 mttt 59.67 96.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 12' ' ' THR . 27.5 p -64.89 107.01 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -173.09 135.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -100.46 130.43 46.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.66 HG21 ' ND2' ' A' ' 59' ' ' ASN . 1.5 m -75.34 162.92 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -104.35 109.32 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -108.22 127.2 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -127.14 116.36 20.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 101.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.634 HG12 ' HA ' ' A' ' 115' ' ' CYS . 31.5 m -126.78 156.26 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 51.9 mt-30 -88.51 140.31 29.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.591 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -91.45 101.01 13.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.729 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -64.0 -45.83 87.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.628 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 143.49 158.92 7.75 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 15.7 ttp -90.92 129.18 36.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 27' ' ' PRO . 1.4 tt -130.17 127.91 22.67 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.439 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 161.17 39.24 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.5 m -142.13 165.71 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -89.2 -52.49 5.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -86.02 143.94 38.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.55 16.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.949 HG12 ' HB2' ' A' ' 87' ' ' PHE . 34.0 m -137.3 -177.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.99 130.97 5.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -45.8 41.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.09 -61.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -55.11 -49.08 72.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.3 tp -46.4 -63.38 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -53.38 -54.9 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.35 -41.05 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -62.17 -59.18 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -49.59 -66.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.578 ' O ' HG22 ' A' ' 46' ' ' THR . 23.1 mt-10 -40.94 -41.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -52.97 -62.02 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.628 HD11 ' O ' ' A' ' 24' ' ' GLY . 12.3 mt -53.35 -57.45 10.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.07 -64.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.0 t -74.01 59.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.36 -69.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -86.74 144.75 26.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m -73.42 165.26 25.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.3 tttm -68.5 -53.21 24.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.27 -32.24 73.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -20.71 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.592 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -78.73 122.85 85.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.98 26.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 102.01 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 m -110.04 179.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -125.38 141.14 52.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.435 ' SD ' HG22 ' A' ' 67' ' ' VAL . 8.7 tpp -107.88 101.42 10.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.66 ' ND2' HG21 ' A' ' 15' ' ' VAL . 38.0 t-20 -80.9 142.24 33.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.406 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 90.8 t -135.4 101.24 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.567 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -151.2 165.16 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 41.29 39.14 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.8 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 50.99 52.28 15.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 80' ' ' CYS . 4.8 m -142.89 159.17 42.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.7 t -123.45 102.05 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.456 HG23 HG13 ' A' ' 76' ' ' VAL . 22.9 m -114.06 119.78 38.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.435 HG22 ' SD ' ' A' ' 58' ' ' MET . 60.7 t -85.29 103.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 mt -96.78 143.99 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.3 t -67.44 149.88 49.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.93 -57.33 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 54.82 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 168.9 164.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.8 -43.5 1.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.59 -9.26 58.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.17 105.56 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 HG23 ' A' ' 66' ' ' THR . 83.8 t -98.41 104.11 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.34 -61.4 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.591 HG21 ' OH ' ' A' ' 22' ' ' TYR . 4.1 t -131.4 139.61 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -120.42 96.27 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.492 ' O ' HG23 ' A' ' 64' ' ' THR . 80.0 m -109.45 148.94 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -126.06 154.15 43.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 63' ' ' ALA . 10.6 m -73.25 -22.09 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -77.88 -15.47 59.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.624 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 1.1 m-85 -110.66 -20.9 12.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.873 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -51.91 165.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.6 m -131.95 -44.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.949 ' HB2' HG12 ' A' ' 32' ' ' VAL . 59.4 t80 -173.8 171.84 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.519 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 22.4 ptp -166.48 -160.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 148.67 156.42 7.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 96' ' ' THR . 71.7 t -84.28 119.48 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.51 -174.34 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -40.63 -64.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.66 161.05 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' ALA . 24.0 m -86.0 -9.5 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.3 m80 -96.06 18.98 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 90' ' ' VAL . 3.0 p -125.25 136.85 53.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.438 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 73.1 t80 -148.84 136.08 20.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -155.44 143.69 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.873 ' HB2' HD21 ' A' ' 85' ' ' LEU . 46.3 p90 -138.01 144.17 40.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 87' ' ' PHE . 20.2 mt -89.48 122.62 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.744 ' SD ' HG22 ' A' ' 103' ' ' THR . 2.4 ppp? -115.38 165.94 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -116.8 111.43 19.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.744 HG22 ' SD ' ' A' ' 101' ' ' MET . 35.5 p -84.76 7.78 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 115.57 150.24 9.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 60.85 -173.28 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.98 54.92 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.425 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 12.4 mmt180 -129.38 145.33 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 107' ' ' ARG . 18.0 m-85 -139.73 137.44 35.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.464 ' OE1' HG21 ' A' ' 103' ' ' THR . 52.2 mt-10 -126.07 136.6 53.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.506 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 53.4 t -109.72 130.35 55.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.333 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 73.7 m-70 -112.97 105.87 14.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.729 HG12 HD13 ' A' ' 23' ' ' LEU . 88.6 t -83.87 142.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.3 m-85 -146.76 167.74 23.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.458 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 16.2 t-105 -119.53 111.02 17.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.634 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.8 m -103.69 149.48 24.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 108.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 22.1 mt-10 -137.55 147.76 58.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.56 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.2 Cg_endo -75.03 -9.3 24.03 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.951 -2.52 . . . . 0.0 110.997 -0.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.26 161.98 41.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.456 ' HB3' HG22 ' A' ' 90' ' ' VAL . . . -92.13 28.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -77.76 -43.3 31.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.42 -43.87 47.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.1 t -59.99 -67.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.225 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.2 t -43.71 -43.96 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.12 -54.53 32.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.63 -36.76 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.514 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 93.8 t -74.84 -47.01 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -60.54 -54.12 49.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.229 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.16 -30.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.531 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -74.12 -50.26 20.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 6.7 t -63.37 -65.79 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 75.8 p 48.68 89.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 165.87 -107.12 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 100.29 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.7 t -120.05 -59.11 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.48 147.37 25.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -149.09 123.6 9.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.09 164.15 38.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.79 121.01 1.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.447 1.092 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t -173.28 141.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.18 142.12 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.39 78.37 1.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 106.49 2.28 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 10.8 t -147.61 137.34 12.15 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.443 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -75.01 55.82 4.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.36 116.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.5 p -75.43 127.8 33.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -108.44 69.9 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 15' ' ' VAL . 0.5 OUTLIER 61.04 156.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.842 HG22 ' HB2' ' A' ' 61' ' ' ALA . 92.6 t -129.58 147.07 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' MET . 16.1 mt-30 -114.85 109.04 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -111.24 124.67 52.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' O ' HG13 ' A' ' 20' ' ' VAL . 73.5 m-85 -126.68 115.78 19.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.19 101.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.242 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 18' ' ' PHE . 6.0 m -125.54 158.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 55.1 mt-30 -88.35 140.8 29.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.76 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -94.04 100.82 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.901 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -64.0 -47.85 78.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.76 -173.74 29.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.441 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 23.2 ttp -120.1 108.25 14.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 27' ' ' PRO . 1.2 tt -107.39 131.11 21.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.479 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.0 Cg_endo -75.03 155.61 42.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -141.07 140.59 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.65 -45.33 59.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -86.5 132.47 42.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.53 17.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -132.28 172.81 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.04 135.6 6.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.3 mtp -81.86 -39.23 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -62.18 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -54.37 -43.71 71.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 89' ' ' GLY . 5.3 tp -49.5 -59.03 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -63.16 -54.69 33.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -48.77 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.53 64.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.3 mt -50.92 -65.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.61 ' O ' HG23 ' A' ' 46' ' ' THR . 10.3 mt-10 -39.08 -40.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.426 ' HB3' HD13 ' A' ' 26' ' ' LEU . 2.0 t-20 -61.2 -62.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -54.57 -45.6 73.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.37 -57.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 42' ' ' GLU . 11.8 p -73.26 -36.87 66.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -41.99 -73.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.2 m -107.05 150.54 26.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.441 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 73.8 m -63.93 174.44 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.596 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.3 tttm -68.77 -53.38 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.92 -35.2 79.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -26.33 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.596 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 10.1 m0 -73.61 124.42 90.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.06 31.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 103.27 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' A' ' 77' ' ' LEU . 13.1 m -112.37 161.51 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -113.42 133.91 54.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' GLN . 21.2 tpp -92.76 100.15 12.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -80.66 132.41 35.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.476 HG22 HG22 ' A' ' 65' ' ' VAL . 93.5 t -135.91 110.34 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.842 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -142.78 141.36 31.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 1.7 t70 66.24 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.753 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 178.3 36.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.507 HG23 ' HG3' ' A' ' 81' ' ' ARG . 24.6 m -127.09 149.9 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.477 HG21 HG13 ' A' ' 126' ' ' VAL . 4.9 t -118.01 100.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.402 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 42.4 m -110.69 125.15 53.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -87.23 105.93 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mt -98.04 151.99 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.2 t -73.84 158.55 34.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 4.3 tt0 -65.5 -47.5 75.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 68.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.0 135.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -107.13 -11.64 15.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -105.44 -24.87 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.55 107.79 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.574 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -104.95 92.48 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 56' ' ' VAL . 12.1 mt -49.65 -55.11 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.76 HG21 ' OH ' ' A' ' 22' ' ' TYR . 13.5 t -133.1 150.31 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -131.66 99.08 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 63.8 m -111.62 143.48 42.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.507 ' HG3' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -117.47 149.44 40.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.753 HG21 ' HB1' ' A' ' 63' ' ' ALA . 18.5 m -61.59 -33.71 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.416 ' HD2' ' CG ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -66.22 -33.88 76.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.416 ' CG ' ' HD2' ' A' ' 83' ' ' ARG . 1.6 m-85 -85.12 -18.97 32.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.889 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -63.65 143.51 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.11 -32.47 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 88' ' ' MET . 36.7 t80 -177.87 170.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.602 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.06 -148.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.666 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 130.97 153.38 7.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.14 149.18 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.7 -174.7 50.54 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -43.41 -50.4 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.87 155.69 19.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 119' ' ' ALA . 19.3 m -81.8 -7.22 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.448 ' CD2' ' N ' ' A' ' 95' ' ' HIS . 0.8 OUTLIER -101.57 18.65 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.639 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 p -128.17 131.71 48.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -136.57 139.93 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.575 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -152.62 141.29 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.889 ' HB2' HD21 ' A' ' 85' ' ' LEU . 6.5 p90 -137.53 140.73 41.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.515 ' O ' HD23 ' A' ' 85' ' ' LEU . 64.8 mt -88.02 133.9 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.504 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 25.5 ptm -119.37 165.01 14.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.7 102.95 8.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.0 p -87.68 -4.74 58.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.417 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 105' ' ' ASN . . . 96.6 160.06 32.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' GLN . 3.6 m-20 66.78 58.97 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' ASN . 2.1 mt-30 35.64 41.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.38 128.36 54.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -129.29 131.62 47.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -118.7 138.82 52.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.46 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 16.5 t -115.18 108.37 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 108.249 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 80.4 m-70 -88.79 112.09 22.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.901 HG12 HD13 ' A' ' 23' ' ' LEU . 92.0 t -88.23 141.02 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.0 m-85 -146.17 164.94 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.428 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 7.7 t-105 -122.05 113.48 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.2 m -108.6 152.73 24.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 108.269 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.516 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 38.2 mt-10 -138.79 150.8 66.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -75.0 -9.63 24.01 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.021 0.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 5.4 p30 -154.88 155.95 35.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.02 37.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.04 -36.59 19.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -81.37 -38.44 26.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.76 -64.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.9 t -47.03 -40.69 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.58 -55.55 14.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -50.38 -42.88 54.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.678 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 87.3 t -67.45 -51.82 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.542 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 3.1 mm-40 -56.81 -57.62 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.67 -26.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 126' ' ' VAL . . . -72.84 -54.91 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 51.4 t -56.89 -55.72 30.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 108.262 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.14 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -154.45 -163.99 12.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.25 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.8 t -137.98 -58.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.964 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 67.9 m 43.21 79.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -155.49 170.47 21.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 110.019 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.56 168.29 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.985 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.19 -173.27 12.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 m -165.8 168.72 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 109.96 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -169.46 168.0 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.99 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.83 -160.28 9.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.74 17.73 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.504 1.792 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.0 p -132.07 113.32 14.78 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -171.38 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.447 1.762 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 165.08 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -126.99 175.9 7.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.9 172.97 8.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.91 156.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.916 HG22 ' HB2' ' A' ' 61' ' ' ALA . 70.1 t -135.12 140.53 44.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 25.2 mt-30 -117.31 109.48 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD3' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -103.04 129.17 49.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 91.5 m-85 -124.8 111.75 15.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.17 100.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 115' ' ' CYS . 34.4 m -129.48 160.89 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 47.7 mt-30 -88.75 154.85 19.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.486 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -107.27 101.33 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.743 HD13 HG12 ' A' ' 112' ' ' VAL . 2.5 mp -65.23 -43.01 92.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.59 168.2 11.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.417 ' CG ' ' HB3' ' A' ' 109' ' ' GLU . 13.6 tmm? -93.66 137.8 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' N ' ' SD ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -135.93 128.29 17.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.62 43.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.69 133.82 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.26 -44.73 82.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 118.63 72.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 108' ' ' PHE . 18.3 Cg_endo -75.01 -9.27 20.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 87' ' ' PHE . 19.5 m -146.33 147.44 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.03 145.3 4.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.1 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -43.35 12.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.23 -65.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -50.17 -43.89 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -50.52 -67.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 45.5 m-80 -50.86 -49.43 59.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.36 -50.91 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.6 mt -44.98 -63.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -49.69 -34.46 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -60.85 -55.7 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.98 -57.75 11.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -40.54 -63.38 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -69.97 59.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 45' ' ' MET . 22.9 t -167.33 -73.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -90.17 166.04 13.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.537 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 2.5 m -81.31 177.95 8.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 9.9 tttt -83.68 -50.48 8.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.25 -26.03 66.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.68 -23.48 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 9.6 m0 -76.12 128.17 83.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 107.975 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.38 25.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.34 102.42 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 m -112.03 173.35 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -119.11 141.99 48.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.9 tpp -102.53 101.32 11.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -80.62 135.87 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -135.34 106.19 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.916 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -159.62 166.85 29.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.6 t0 41.71 33.82 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.649 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 55.62 54.77 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.7 m -145.02 158.73 43.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' CYS . 4.6 t -124.78 100.48 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.411 ' CG2' HG23 ' A' ' 76' ' ' VAL . 95.6 m -113.45 129.79 56.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.4 t -92.07 102.51 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.52 HD13 ' O ' ' A' ' 73' ' ' GLU . 11.1 mt -96.27 147.18 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.9 t -73.28 165.53 24.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -82.24 -35.59 28.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -75.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.74 171.11 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -110.46 -18.53 13.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 2.6 pt-20 -88.66 -22.41 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.59 108.43 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.583 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -106.73 92.55 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.69 -56.28 12.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.4 t -126.58 149.61 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -130.52 95.07 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.458 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 84.8 m -112.65 150.44 31.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 51.6 mtt85 -122.17 -174.5 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.649 HG21 ' HB1' ' A' ' 63' ' ' ALA . 23.5 m -98.91 -27.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -75.22 -16.67 60.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.571 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 21.7 m-85 -110.48 -0.22 17.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.96 152.87 39.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.39 -41.12 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 88' ' ' MET . 26.8 t80 -176.61 169.26 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.513 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 18.7 ptp -169.01 -160.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.61 -164.14 28.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 119' ' ' ALA . 77.2 t -116.54 121.35 67.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.5 -176.86 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.401 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 12.2 mmmt -40.38 -61.93 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -74.24 152.92 39.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 119' ' ' ALA . 21.4 m -78.35 -5.59 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.554 ' O ' ' CE3' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -103.2 43.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 16.6 p -151.4 132.14 14.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.566 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 50.8 t80 -141.8 124.05 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -143.1 152.42 41.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.849 ' HB2' HD21 ' A' ' 85' ' ' LEU . 32.0 p90 -143.05 141.37 31.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 17.2 mt -88.58 114.93 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.458 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 24.5 ptm -98.09 161.35 13.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.06 102.0 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.4 p -70.41 -61.85 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 105' ' ' ASN . . . 158.9 159.48 9.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 106' ' ' GLN . 2.8 t-20 81.93 -60.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 105' ' ' ASN . 4.0 mt-30 161.4 48.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.84 143.22 50.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 31' ' ' PRO . 34.7 m-85 -134.47 116.56 15.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 65.2 mt-10 -106.18 129.28 54.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.9 t -104.59 109.5 21.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 78.3 m-70 -90.46 102.48 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.743 HG12 HD13 ' A' ' 23' ' ' LEU . 73.4 t -82.65 144.86 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 91.9 m-85 -146.99 162.75 38.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.554 ' CE3' ' O ' ' A' ' 95' ' ' HIS . 32.8 t-105 -115.06 111.42 21.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.473 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.1 m -109.71 145.18 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.534 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.7 mt-10 -132.09 147.25 65.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.01 -35.37 2.94 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.974 0.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -124.02 156.7 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -89.33 41.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.94 -51.09 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -58.84 -49.27 78.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 126' ' ' VAL . 21.1 t -59.9 -66.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.472 ' HA ' ' CE1' ' A' ' 97' ' ' PHE . 21.2 t -45.12 -37.85 4.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.35 -57.75 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.08 -29.67 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 122' ' ' VAL . 84.2 t -77.6 -56.56 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.401 ' C ' ' N ' ' A' ' 129' ' ' ALA . 2.1 mt-30 -54.69 -46.11 74.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.34 -32.55 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.616 ' CB ' HG11 ' A' ' 82' ' ' VAL . . . -80.97 -55.45 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 15.5 t -46.9 -48.93 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 108.338 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -48.62 75.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.53 149.99 11.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 66.46 6.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.25 157.61 43.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.9 t -93.51 129.91 39.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -178.79 126.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.042 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.59 170.75 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.955 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.49 -142.93 4.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.63 169.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 110.024 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.8 149.73 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.09 122.42 1.65 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.72 12.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 12.9 t -120.11 136.77 25.26 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -74.98 175.78 10.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -80.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.1 m 65.85 120.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 60.42 147.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.57 147.85 30.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.935 HG22 ' HB2' ' A' ' 61' ' ' ALA . 53.4 t -119.0 150.62 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.67 110.08 15.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -105.43 130.17 53.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -129.28 115.86 18.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 99.94 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' VAL . 13.7 m -124.81 154.85 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -88.24 144.3 26.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -94.96 102.97 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.63 HD13 HG12 ' A' ' 112' ' ' VAL . 0.6 OUTLIER -68.12 -43.23 78.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.588 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 142.4 156.38 6.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.466 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 26.2 ttp -94.42 107.22 19.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 0.806 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' HD2' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -105.91 141.43 22.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HD2' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 169.05 23.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.78 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG13 ' C ' ' A' ' 27' ' ' PRO . 20.8 m -152.26 166.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.74 -41.8 4.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 118.58 63.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.0 -5.54 16.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.81 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG13 ' C ' ' A' ' 31' ' ' PRO . 16.4 m -152.16 154.34 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' ASP . . . 137.19 -16.06 3.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 68.02 -59.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.937 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -39.71 -55.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -60.43 -40.31 90.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.687 HD12 HG13 ' A' ' 100' ' ' ILE . 0.7 OUTLIER -54.93 -54.45 42.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -62.44 -51.67 66.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -40.43 -45.41 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.3 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.431 HG12 HG13 ' A' ' 112' ' ' VAL . 95.8 mt -53.97 -65.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -42.25 -42.13 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -56.57 -59.76 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.588 HD11 ' O ' ' A' ' 24' ' ' GLY . 10.7 mt -51.87 -51.93 53.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -41.28 -64.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.2 p -72.28 58.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.59 -71.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -99.32 150.93 21.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.431 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 3.2 m -70.38 175.42 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 17.9 tttm -73.56 -49.46 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -65.5 -35.83 82.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -49.05 -28.68 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.587 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 7.8 m0 -73.14 125.51 90.9 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 108.04 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 137.69 22.14 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.43 102.66 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' VAL . 12.7 m -112.9 168.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -114.37 138.23 50.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.51 ' SD ' HG13 ' A' ' 122' ' ' VAL . 58.6 ttm -100.74 104.52 15.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 26.0 t-20 -80.64 136.36 36.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.595 HG11 ' O ' ' A' ' 125' ' ' ALA . 48.3 t -133.85 109.56 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.935 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -164.27 166.3 21.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' ALA . 13.1 t0 40.23 35.23 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.872 ' HA ' ' HB1' ' A' ' 129' ' ' ALA . . . 53.39 55.6 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 80' ' ' CYS . 19.2 m -144.88 157.15 44.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 65' ' ' VAL . 3.7 t -122.32 99.61 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.583 HG22 HG23 ' A' ' 76' ' ' VAL . 29.3 m -111.88 119.85 39.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.424 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.417 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 59.6 t -85.64 106.51 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.2 mt -99.63 159.77 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.7 t -85.18 166.08 16.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -88.11 -34.78 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.319 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -65.41 -51.99 56.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -115.41 167.25 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -109.6 -17.1 13.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.07 10.3 41.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -97.41 74.62 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 66' ' ' THR . 1.6 p -73.41 97.76 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' VAL . 6.9 mt -60.55 -46.18 91.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.0 150.35 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -133.33 97.35 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.54 ' O ' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -111.81 151.09 29.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.577 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 46.4 mtt180 -123.98 168.99 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.686 HG21 ' HB1' ' A' ' 63' ' ' ALA . 13.4 m -83.44 -28.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -75.25 -16.24 60.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.577 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 17.7 m-85 -110.61 -1.92 16.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -76.12 154.21 35.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.5 m -117.76 -36.49 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.956 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.607 ' CE2' ' O ' ' A' ' 88' ' ' MET . 40.2 t80 -178.4 173.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.607 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -162.84 -150.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.9 156.28 8.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 96' ' ' THR . 69.2 t -81.08 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.67 -171.96 2.15 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -43.54 -64.08 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.58 163.28 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 119' ' ' ALA . 35.0 m -85.32 -8.77 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -99.39 17.1 21.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.605 ' O ' HG13 ' A' ' 90' ' ' VAL . 4.7 p -122.58 129.65 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.557 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 47.3 t80 -140.02 127.07 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.43 145.48 33.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.733 ' HB2' HD21 ' A' ' 85' ' ' LEU . 6.9 p90 -132.75 140.0 47.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.687 HG13 HD12 ' A' ' 37' ' ' LEU . 41.8 mt -89.72 126.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.546 ' HE2' HG22 ' A' ' 103' ' ' THR . 26.4 ptm -120.12 165.18 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -123.08 109.15 13.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.546 HG22 ' HE2' ' A' ' 101' ' ' MET . 32.1 p -100.9 -59.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.42 -144.53 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -85.36 -77.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -105.19 17.77 23.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -94.95 152.53 18.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 101' ' ' MET . 25.7 m-85 -139.87 149.28 43.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.466 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 18.7 mt-10 -128.32 135.88 50.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.95 112.28 23.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 81.4 m-70 -93.76 105.74 17.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.566 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.63 HG12 HD13 ' A' ' 23' ' ' LEU . 87.4 t -82.38 142.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.8 m-85 -146.85 161.17 41.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TRP . . . . . 0.426 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 27.9 t-105 -114.57 111.52 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.02 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.4 m -109.63 143.51 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.5 mt-10 -131.6 149.28 73.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -26.28 9.41 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.997 0.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -134.91 156.87 48.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -90.15 39.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.42 -41.99 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -72.44 -42.65 64.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.51 HG13 ' SD ' ' A' ' 58' ' ' MET . 2.8 t -63.36 -66.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.4 t -45.14 -37.78 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.38 -58.51 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.595 ' O ' HG11 ' A' ' 60' ' ' VAL . . . -51.76 -22.79 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.602 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 72.2 t -91.16 -45.73 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -64.39 -54.91 25.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.08 -21.23 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.872 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -73.33 -52.77 12.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.3 t -62.09 -51.93 65.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 108.347 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 90.4 p 40.09 90.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -58.65 174.51 2.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 62.55 5.82 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.771 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.8 m 61.73 127.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.1 m -89.08 -61.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 111.065 179.93 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -138.27 112.96 8.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -135.21 129.94 34.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.77 115.18 1.74 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.87 79.68 2.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -126.81 166.09 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.84 148.78 19.39 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 64.2 6.07 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 p -146.37 113.65 4.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.362 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.79 21.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.92 167.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 12' ' ' THR . 7.2 t -135.53 105.21 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -173.8 125.61 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.13 133.64 35.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.597 HG21 ' ND2' ' A' ' 59' ' ' ASN . 1.7 m -75.56 163.35 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -104.27 109.32 21.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -109.57 123.03 48.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 20' ' ' VAL . 81.8 m-85 -123.76 118.72 27.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.01 99.9 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 18' ' ' PHE . 9.9 m -125.37 157.99 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 54.3 mt-30 -88.69 154.83 19.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.666 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -106.92 103.26 12.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.775 HD13 HG12 ' A' ' 112' ' ' VAL . 1.9 mp -67.49 -47.32 70.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.34 -176.32 28.13 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.517 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 11.7 ttp -114.93 114.9 26.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.73 128.21 25.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' C ' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 156.12 42.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG13 ' C ' ' A' ' 27' ' ' PRO . 14.7 m -151.48 148.54 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.23 -43.4 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.48 119.04 75.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.4 Cg_endo -74.98 -8.59 20.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 87' ' ' PHE . 18.3 m -142.48 155.21 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.81 114.58 2.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mtp -63.14 -39.17 93.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.27 -67.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -52.45 -46.52 66.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.15 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -47.94 -39.36 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -36.96 85.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.44 -32.25 72.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.547 HG12 HG13 ' A' ' 112' ' ' VAL . 10.1 mt -69.71 -70.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' N ' HG22 ' A' ' 41' ' ' ILE . 5.6 pt-20 -37.61 -47.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.505 ' N ' ' CG ' ' A' ' 42' ' ' GLU . 3.9 t-20 -59.69 -54.68 43.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.2 mt -64.92 -14.07 58.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.552 ' HG2' HD21 ' A' ' 23' ' ' LEU . 51.2 mtp -90.06 -42.37 11.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 42' ' ' GLU . 4.6 t -79.95 -10.56 59.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.42 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.3 t -72.58 -81.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.0 m -90.54 172.21 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -81.14 167.91 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 8.5 tttm -64.53 -55.64 19.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.49 -30.7 71.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -22.08 9.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.587 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 7.5 m0 -77.49 127.22 83.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.24 25.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.76 102.29 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 m -110.72 176.18 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -119.32 141.14 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.436 ' SD ' HG22 ' A' ' 67' ' ' VAL . 9.1 tpp -106.82 98.19 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.597 ' ND2' HG21 ' A' ' 15' ' ' VAL . 44.5 t-20 -80.76 140.52 35.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.432 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 44.1 t -133.6 108.74 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.494 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -158.19 165.13 35.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' ALA . 16.2 t0 40.38 42.01 1.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.725 ' HA ' ' HB1' ' A' ' 129' ' ' ALA . . . 48.79 53.26 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 80' ' ' CYS . 23.7 m -146.42 155.08 42.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.498 HG21 HG13 ' A' ' 126' ' ' VAL . 2.7 t -120.3 99.64 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.471 ' CG2' HG23 ' A' ' 76' ' ' VAL . 69.5 m -107.83 119.55 39.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.436 HG22 ' SD ' ' A' ' 58' ' ' MET . 61.4 t -85.48 106.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.1 mt -101.06 151.53 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.1 t -68.55 157.1 36.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -68.74 -48.85 62.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 64.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 166.4 113.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.04 62.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -178.1 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -65.87 69.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.471 HG23 ' CG2' ' A' ' 66' ' ' THR . 1.5 p -62.81 100.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.69 -46.99 88.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.666 HG21 ' OH ' ' A' ' 22' ' ' TYR . 20.1 t -143.02 143.43 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.2 98.06 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.617 ' O ' HG23 ' A' ' 64' ' ' THR . 4.3 t -100.0 146.03 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 108.312 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -125.5 131.35 52.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 63' ' ' ALA . 3.6 m -59.95 -18.53 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.99 -20.53 38.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -107.84 -3.4 19.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.17 152.35 41.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 m -117.17 -35.56 4.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 88' ' ' MET . 35.4 t80 -177.52 168.53 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.603 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 19.8 ptp -169.23 -164.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.39 176.08 20.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 96' ' ' THR . 99.2 t -94.09 138.25 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.79 -175.66 15.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -42.05 -57.32 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.52 151.64 30.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 25.1 m -77.48 -6.79 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.83 39.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.563 ' O ' HG13 ' A' ' 90' ' ' VAL . 12.2 p -151.23 128.08 10.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.668 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 27.3 t80 -133.97 133.68 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -147.58 152.58 38.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.793 ' HB2' HD21 ' A' ' 85' ' ' LEU . 8.7 p90 -146.41 143.06 28.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.566 ' O ' HD23 ' A' ' 85' ' ' LEU . 50.8 mt -88.47 126.91 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.412 ' O ' ' HA ' ' A' ' 108' ' ' PHE . 26.4 ptm -124.56 163.13 22.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -112.68 132.27 55.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.1 p -119.72 -55.44 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.388 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.83 -151.31 16.44 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -93.31 133.64 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 0.795 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 49.23 22.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.3 mmt-85 -115.5 139.31 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' A' ' 101' ' ' MET . 19.5 m-85 -139.6 134.87 32.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.481 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 46.3 mm-40 -114.28 152.02 32.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 t -126.39 112.35 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 63.9 m-70 -94.17 113.96 25.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.637 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.775 HG12 HD13 ' A' ' 23' ' ' LEU . 89.3 t -91.6 143.33 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.7 m-85 -146.75 163.1 37.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -118.11 122.54 43.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.0 m -124.55 142.31 51.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 108.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.2 mt-10 -124.2 146.5 51.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.05 -44.52 0.55 Allowed 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.948 0.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 1.2 p30 -117.88 151.2 37.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.668 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -88.14 44.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.92 -52.79 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -57.81 -49.94 74.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.9 t -57.75 -68.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.9 t -43.82 -40.63 4.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.7 -55.04 14.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.18 -34.31 44.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.498 HG13 HG21 ' A' ' 65' ' ' VAL . 69.1 t -74.81 -48.02 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -62.08 -50.26 72.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.79 -26.85 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.725 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -75.39 -41.73 55.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 29.8 t -73.46 -64.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.279 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.0 t 69.04 106.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -126.65 -176.95 14.67 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.97 23.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.38 -57.81 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 75.3 p -119.83 123.29 43.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.871 HG22 ' HB2' ' A' ' 61' ' ' ALA . 77.1 t . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -118.51 109.69 16.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.623 ' HD3' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -104.62 131.18 52.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CD2' HG22 ' A' ' 122' ' ' VAL . 70.6 m-85 -130.77 115.65 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.49 100.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 56' ' ' VAL . 11.5 m -125.92 158.12 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.9 mt-30 -88.48 153.04 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.741 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -105.4 103.83 13.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -68.65 -46.92 67.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.19 -174.4 30.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.458 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 18.6 ttp -116.41 110.29 18.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 27' ' ' PRO . 3.7 tt -111.74 127.6 26.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.441 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.05 155.89 42.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.1 m -144.2 150.63 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.37 -50.14 8.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 115.28 53.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.587 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.2 Cg_endo -75.05 -5.33 16.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.432 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.8 m -142.29 142.68 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.39 160.04 9.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -101.49 -47.6 4.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.01 -60.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m -56.39 -42.38 77.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD11 ' O ' ' A' ' 98' ' ' ALA . 2.6 tp -53.52 -61.15 2.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -54.69 -51.52 65.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.2 t -47.27 -46.33 24.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.29 -56.43 22.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -52.22 -67.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -39.45 -40.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -61.05 -56.82 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 44' ' ' LEU . 11.8 mt -61.72 -47.87 83.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 mtt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 19.0 tttm -72.95 -50.55 22.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.2 -27.01 68.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.09 -37.75 88.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.513 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 11.0 m0 -61.36 127.22 87.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 108.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.404 ' O ' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.99 135.08 18.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 102.47 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 20' ' ' VAL . 4.5 m -111.73 175.33 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -121.79 140.8 51.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 tpp -102.78 103.89 14.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 22.0 t-20 -81.31 136.84 35.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.453 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 81.0 t -135.32 113.05 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.871 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -166.3 166.82 16.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t70 40.73 37.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.783 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 53.17 54.06 10.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 80' ' ' CYS . 16.5 m -145.43 158.78 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.5 t -126.92 102.89 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.594 ' CG2' HG13 ' A' ' 76' ' ' VAL . 99.6 m -115.3 122.1 44.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.397 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.448 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 87.8 t -85.48 107.14 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 75' ' ' GLU . 13.7 mt -99.38 145.29 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.518 ' HA ' HD11 ' A' ' 77' ' ' LEU . 6.2 t -62.01 177.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.438 ' N ' ' OG ' ' A' ' 69' ' ' SER . 7.1 tt0 -93.02 -42.47 9.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -95.89 47.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m120 172.43 111.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.61 1.68 50.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -106.28 -43.3 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.796 ' O ' HG23 ' A' ' 68' ' ' ILE . 10.1 tt0 -52.61 139.91 24.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.594 HG13 ' CG2' ' A' ' 66' ' ' THR . 47.0 t -124.66 93.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 69' ' ' SER . 3.6 mt -56.88 -64.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.741 HG21 ' OH ' ' A' ' 22' ' ' TYR . 24.8 t -125.03 141.88 43.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -123.26 101.3 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.41 ' O ' HG23 ' A' ' 64' ' ' THR . 94.7 m -113.08 150.06 32.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 108.26 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -126.92 141.9 51.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 63' ' ' ALA . 5.8 m -62.24 -20.82 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -22.71 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.31 0.43 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.873 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.77 161.94 28.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.82 -43.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CD2' ' N ' ' A' ' 88' ' ' MET . 43.5 t80 -171.43 173.19 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.526 ' N ' ' CD2' ' A' ' 87' ' ' PHE . 16.9 ptp -172.24 -158.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 143.38 170.84 13.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' A' ' 94' ' ' VAL . 73.5 t -91.45 125.7 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -61.91 -171.7 1.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -40.37 -65.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.402 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -75.99 147.44 38.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.505 ' HA ' HG11 ' A' ' 90' ' ' VAL . 21.2 m -76.59 -4.46 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.2 m80 -99.34 36.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.616 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 23.4 p -150.46 139.45 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.482 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 49.0 t80 -140.67 127.39 20.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.623 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -140.58 146.92 38.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.873 ' HB2' HD21 ' A' ' 85' ' ' LEU . 18.1 p90 -144.41 140.48 29.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.587 HG21 ' HA ' ' A' ' 31' ' ' PRO . 21.1 mt -88.0 123.14 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.401 ' SD ' ' SG ' ' A' ' 80' ' ' CYS . 26.1 ptm -110.01 165.03 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 t0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.414 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 31.5 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.505 0.193 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -120.85 134.66 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.623 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 19.0 t -110.21 112.08 23.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 108.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 78.7 m-70 -91.49 109.96 21.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.793 HG12 HD13 ' A' ' 23' ' ' LEU . 97.2 t -86.11 143.02 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 96.9 m-85 -146.78 164.69 31.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -120.25 116.52 25.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -115.69 144.71 43.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 108.306 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.0 mp0 -128.59 149.55 72.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.595 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.3 Cg_endo -75.0 -12.69 23.92 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.0 -0.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 118' ' ' ASN . 0.3 OUTLIER -157.1 148.27 21.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -81.59 51.62 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.49 -48.71 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -71.58 -42.15 68.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 18' ' ' PHE . 14.6 t -59.64 -58.68 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 6.8 t -52.58 -41.48 63.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.9 -55.95 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -49.89 -34.18 19.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.42 -44.44 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 123' ' ' SER . 4.6 mm100 -60.51 -54.79 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.23 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.877 HG22 ' HB2' ' A' ' 61' ' ' ALA . 93.9 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.292 -0.632 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 27.5 mt-30 -121.94 110.03 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -102.53 125.07 49.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.549 ' O ' HG13 ' A' ' 20' ' ' VAL . 81.4 m-85 -124.18 110.17 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.435 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.16 99.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 18' ' ' PHE . 3.3 m -127.69 162.57 33.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 31.0 mt-30 -88.49 161.89 16.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -113.57 102.15 10.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD13 HG12 ' A' ' 112' ' ' VAL . 1.2 mp -64.51 -45.99 84.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.69 169.98 11.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -97.64 135.79 38.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -135.69 127.47 17.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 146.93 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.3 m -142.12 146.71 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -56.92 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 118.33 62.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.606 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.03 -11.64 21.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.795 HG12 ' HB2' ' A' ' 87' ' ' PHE . 18.8 m -138.45 174.93 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.56 148.9 20.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -35.39 17.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.05 -66.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.8 m -51.01 -47.81 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.425 HD11 ' O ' ' A' ' 98' ' ' ALA . 4.1 tp -44.79 -68.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -50.36 -57.02 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.21 -47.12 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -57.45 -58.14 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.3 mt -52.02 -65.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -38.85 -37.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.89 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.448 HD12 HG21 ' A' ' 112' ' ' VAL . 13.9 mt -49.56 -54.64 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 110.958 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 10.2 tttm -67.31 -52.85 35.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.41 -27.63 69.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -17.82 16.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.488 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 9.2 m0 -82.08 127.59 71.22 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.12 23.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.9 102.07 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' VAL . 12.1 m -111.06 171.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -116.03 136.68 52.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.0 tpp -99.64 107.37 19.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -85.31 137.3 33.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.0 t -135.39 110.68 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.877 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -167.25 168.17 13.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t0 41.53 37.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.797 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 50.77 51.89 16.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 80' ' ' CYS . 52.4 m -144.15 155.05 43.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.446 HG21 HG13 ' A' ' 126' ' ' VAL . 3.0 t -119.89 101.37 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.64 ' CG2' HG13 ' A' ' 76' ' ' VAL . 95.0 m -111.6 133.0 54.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.59 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.8 mt -95.88 143.89 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.474 ' HA ' HD11 ' A' ' 77' ' ' LEU . 28.8 t -65.38 170.93 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.93 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.435 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 9.1 tt0 -97.4 -47.67 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -36.97 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -123.66 115.3 21.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.17 52.45 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -158.0 -44.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -52.77 119.03 4.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.64 HG13 ' CG2' ' A' ' 66' ' ' THR . 54.3 t -94.94 93.15 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 69' ' ' SER . 3.2 mt -56.89 -60.57 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.51 147.68 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -131.33 101.27 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.555 ' O ' HG23 ' A' ' 64' ' ' THR . 0.9 OUTLIER -108.51 150.39 27.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 108.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -123.58 136.65 54.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 63' ' ' ALA . 14.1 m -60.03 -18.99 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -81.03 -25.66 36.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.415 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -101.03 -8.45 22.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.841 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -65.33 161.06 20.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 72.2 m -124.23 -41.8 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.795 ' HB2' HG12 ' A' ' 32' ' ' VAL . 42.6 t80 -177.35 172.69 1.83 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.529 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 15.3 ptp -169.56 -158.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 150.87 175.4 22.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.6 t -97.39 115.11 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -51.24 -175.79 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -40.78 -72.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.5 OUTLIER -64.43 164.08 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 22.7 m -86.84 -12.52 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.48 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -95.65 22.92 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 20.0 p -126.13 145.78 50.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 47.0 t80 -156.07 139.44 15.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.425 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -156.77 152.16 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.841 ' HB2' HD21 ' A' ' 85' ' ' LEU . 10.7 p90 -146.76 140.98 26.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 31' ' ' PRO . 17.3 mt -88.23 121.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.406 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 26.7 ptm -110.93 161.42 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.2 t70 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.407 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 19.1 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.433 0.159 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -114.08 134.49 54.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.403 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 10.2 t -111.96 108.75 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 76.9 m-70 -89.33 111.46 22.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.615 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.817 HG12 HD13 ' A' ' 23' ' ' LEU . 63.2 t -88.81 143.11 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.9 m-85 -146.65 162.33 38.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 15.8 t-105 -120.59 109.14 14.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 2.9 m -105.67 153.78 21.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 18.4 mt-10 -139.0 149.74 62.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -8.0 23.49 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.007 0.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 11.9 p30 -158.1 157.67 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.21 23.94 3.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.93 -40.71 65.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -76.81 -36.24 57.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 t -68.37 -66.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 13.7 t -46.42 -38.2 8.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.86 -49.66 64.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.64 -27.37 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.484 HG12 ' CE ' ' A' ' 88' ' ' MET . 69.2 t -83.57 -42.98 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 123' ' ' SER . 5.7 mm-40 -64.36 -49.96 69.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.897 HG22 ' HB2' ' A' ' 61' ' ' ALA . 72.6 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -121.78 109.93 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -105.15 130.17 53.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -125.84 120.86 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 100.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 115' ' ' CYS . 17.8 m -128.28 156.32 40.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.416 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 58.4 mt-30 -88.57 143.54 26.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.565 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -94.46 114.93 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.919 HD13 HG12 ' A' ' 112' ' ' VAL . 1.6 mp -80.51 -44.43 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.04 177.24 17.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.477 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 21.4 ttp -108.76 113.58 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -109.75 127.43 27.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.52 36.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.39 166.67 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.43 -54.8 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 121.39 85.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.02 -8.26 19.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -136.79 -172.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.15 155.5 32.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.56 -39.58 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.29 -62.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -53.46 -45.1 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tp -48.0 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -49.89 -50.15 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -49.5 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.69 -64.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.2 mt -41.71 -68.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -40.55 -43.68 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -52.52 -60.13 3.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.93 -59.26 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.542 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 15.5 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 1.7 tttt -77.59 -52.48 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.65 -28.33 69.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -58.68 -18.14 28.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.583 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 10.5 m0 -84.23 125.02 73.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.0 26.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.8 103.19 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 m -111.92 172.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -121.49 136.05 54.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.1 tpp -97.22 104.44 16.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 28.9 t-20 -80.79 137.59 36.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 71.5 t -135.21 103.66 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.897 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -159.3 168.29 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t0 40.25 32.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.845 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 54.87 53.75 10.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 61' ' ' ALA . 55.3 m -144.9 153.87 42.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.7 t -117.41 99.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 m -111.53 125.17 53.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.38 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.7 t -90.16 111.82 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.9 mt -107.12 157.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -71.05 166.75 20.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.22 -34.54 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -85.73 -90.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -47.24 156.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -116.36 -8.65 11.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.03 -20.79 13.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -70.35 102.16 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.479 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -99.85 95.81 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.52 -51.04 66.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.565 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.8 t -134.09 151.07 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -133.64 95.16 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.411 ' O ' HG23 ' A' ' 64' ' ' THR . 66.6 m -104.43 150.48 24.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -125.87 138.99 53.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.845 HG22 ' O ' ' A' ' 63' ' ' ALA . 14.6 m -60.05 -19.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -22.96 40.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -105.52 0.33 26.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -75.23 157.7 34.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 m -122.65 -41.03 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 88' ' ' MET . 32.9 t80 -174.06 170.53 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.51 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 15.1 ptp -170.65 -158.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.061 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 146.15 177.64 20.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 119' ' ' ALA . 40.8 t -97.92 119.56 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.35 -174.15 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -40.1 -73.74 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.797 . . . . 0.0 109.266 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.4 OUTLIER -60.19 163.85 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 119' ' ' ALA . 24.7 m -86.38 -11.1 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.7 OUTLIER -100.99 31.85 3.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 4.7 p -132.24 133.71 44.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.509 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 48.0 t80 -146.58 121.63 10.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.53 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -137.01 149.27 47.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.866 ' HB2' HD21 ' A' ' 85' ' ' LEU . 23.4 p90 -145.25 142.68 29.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.464 HG21 ' HA ' ' A' ' 31' ' ' PRO . 21.0 mt -87.9 132.34 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.8 ptm -124.7 164.91 18.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.519 0.2 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -124.98 139.07 54.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.53 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 49.5 t -118.46 110.32 17.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.277 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 87.0 m-70 -90.83 116.25 28.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.919 HG12 HD13 ' A' ' 23' ' ' LEU . 74.0 t -91.98 141.59 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.1 m-85 -146.82 162.86 37.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.438 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 9.8 t-105 -116.53 103.0 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.695 ' HA ' HG12 ' A' ' 20' ' ' VAL . 8.9 m -94.64 151.64 19.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.2 mt-10 -140.86 150.43 59.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.529 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.4 Cg_endo -74.95 -9.81 23.89 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.004 -0.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 16.9 p30 -151.43 160.2 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.354 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.695 ' HB3' HG22 ' A' ' 90' ' ' VAL . . . -91.78 33.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.63 -46.17 9.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.0 -43.52 67.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.9 t -61.23 -65.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 30.2 t -48.79 -33.92 11.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.01 -57.15 5.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.83 -24.36 22.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 122' ' ' VAL . 99.2 t -87.78 -53.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 123' ' ' SER . 0.9 OUTLIER -52.34 -56.23 16.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.871 HG22 ' HB2' ' A' ' 61' ' ' ALA . 86.2 t . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -125.38 110.12 13.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -107.61 126.43 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -126.93 115.43 19.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.44 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.48 99.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 115' ' ' CYS . 17.2 m -122.61 158.47 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 113' ' ' PHE . 60.4 mt-30 -89.34 142.21 27.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.774 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -94.88 113.02 24.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.8 HD13 HG12 ' A' ' 112' ' ' VAL . 0.5 OUTLIER -79.63 -45.46 19.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 141.68 162.99 9.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -91.44 133.59 35.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.72 128.5 21.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 158.74 41.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.45 HG21 HD13 ' A' ' 100' ' ' ILE . 29.8 m -142.68 152.89 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.57 -49.05 11.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -91.38 136.2 27.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -16.11 20.55 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.768 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 87' ' ' PHE . 8.1 m -133.89 167.63 25.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.55 126.16 3.69 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.2 mtp -71.52 -45.9 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -60.85 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 m -54.69 -37.97 66.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.3 tp -61.02 -66.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -49.72 -56.84 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -41.85 -45.08 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -57.76 -61.68 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 98' ' ' ALA . 95.7 mt -47.07 -66.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.06 -44.55 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.88 -57.72 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.483 HD12 HG21 ' A' ' 112' ' ' VAL . 14.8 mt -59.11 -45.82 89.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.7 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.2 tttm -71.78 -50.27 31.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -63.3 -38.3 90.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -49.23 -32.94 11.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 15.4 m0 -65.81 128.1 93.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.65 23.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.51 102.14 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -110.7 172.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -116.17 143.67 45.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.3 tpp -107.14 104.32 13.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 28.0 t-20 -80.93 136.47 36.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.434 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 60.4 t -135.36 97.69 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.871 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -153.97 167.36 30.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.7 t0 41.0 37.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.875 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 51.59 52.85 13.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.51 HG23 ' HG2' ' A' ' 81' ' ' ARG . 54.3 m -143.52 153.33 42.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -120.6 100.5 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.6 m -115.32 122.92 47.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.01 100.9 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 75' ' ' GLU . 5.0 mt -94.17 147.95 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.6 t -70.24 159.43 34.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.44 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 6.3 tt0 -75.92 -50.64 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -89.16 45.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.67 163.62 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -126.08 -51.6 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.36 -13.14 61.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 68' ' ' ILE . 5.0 tt0 -80.65 110.54 16.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.567 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -110.09 92.83 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.19 -58.69 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.774 HG21 ' OH ' ' A' ' 22' ' ' TYR . 6.1 t -128.42 144.0 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.27 104.17 8.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.41 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 99.1 m -117.11 146.22 43.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.51 ' HG2' HG23 ' A' ' 64' ' ' THR . 81.1 mtt180 -118.81 148.41 42.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 63' ' ' ALA . 13.2 m -70.94 -24.62 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 84' ' ' PHE . 1.6 ppt_? -74.67 -19.35 60.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.451 ' CE2' ' CZ ' ' A' ' 83' ' ' ARG . 1.6 m-85 -105.63 -7.1 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -67.41 147.63 52.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.3 m -115.17 -34.42 5.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.04 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 88' ' ' MET . 48.5 t80 -178.27 170.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.573 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.01 -149.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.43 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 131.93 150.19 6.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 t -73.28 141.6 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.03 -178.04 30.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -41.85 -49.91 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -87.03 157.93 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' ALA . 21.2 m -82.98 -5.69 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.5 OUTLIER -102.08 17.23 23.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.578 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 p -126.37 131.35 51.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -135.94 136.16 40.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.478 ' HB3' HD11 ' A' ' 41' ' ' ILE . . . -149.84 144.68 26.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.851 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.1 p90 -143.57 146.7 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.79 ' O ' HD23 ' A' ' 85' ' ' LEU . 19.3 mt -94.79 128.61 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.41 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 2.1 ppp? -120.04 165.88 14.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.487 0.184 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -109.09 138.08 45.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.0 t -117.74 101.65 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' ALA . 65.6 m-70 -84.2 147.74 27.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.8 HG12 HD13 ' A' ' 23' ' ' LEU . 98.7 t -122.7 138.33 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 85.2 m-85 -146.71 165.43 29.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.555 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 11.0 t-105 -119.17 114.58 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.401 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.9 m -107.59 151.24 25.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.257 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 26.3 mt-10 -139.98 151.04 64.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -74.99 -9.66 23.98 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.982 -0.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 6.1 p30 -153.71 154.66 34.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.55 37.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.94 -39.84 15.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -77.88 -40.05 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 126' ' ' VAL . 3.6 t -63.69 -63.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.2 t -48.87 -39.91 27.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.36 -56.71 11.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.39 -34.5 34.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 122' ' ' VAL . 78.8 t -75.34 -49.69 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -59.8 -55.11 38.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.678 HG12 ' HB2' ' A' ' 61' ' ' ALA . 1.7 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 6.7 mt-30 -103.52 109.19 20.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HE3' ' CG2' ' A' ' 15' ' ' VAL . 17.7 mttt -105.7 125.75 51.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 80.0 m-85 -125.09 115.39 20.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.43 99.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 115' ' ' CYS . 20.4 m -123.72 156.68 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.408 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 49.1 mt-30 -88.47 141.12 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.721 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -91.08 110.61 21.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.803 HD13 HG12 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -78.69 -46.64 18.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 139.07 166.06 10.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 111.051 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.469 ' CG ' ' HB3' ' A' ' 109' ' ' GLU . 17.3 tmm? -94.52 131.84 39.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.976 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -126.26 127.52 24.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.0 37.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.16 171.04 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.42 -50.76 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -85.27 138.13 36.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.592 ' O ' HD12 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.0 -25.38 11.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.859 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.1 m -128.81 177.2 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.91 137.51 7.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 99.8 mmm -82.12 -36.98 26.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.89 -65.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -57.8 -38.26 75.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.6 tp -53.46 -69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -51.0 -57.26 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.94 -46.14 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -56.81 -53.48 57.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.423 HG12 HG13 ' A' ' 112' ' ' VAL . 60.7 mt -55.48 -67.19 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.45 -39.68 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.12 -59.52 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 12.4 mt -59.74 -44.43 93.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -72.6 -49.99 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -61.46 -34.39 75.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -35.79 59.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.546 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 16.1 m0 -65.17 124.96 88.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 139.56 24.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.29 102.28 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -110.68 173.99 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -119.56 141.22 49.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.577 ' SD ' HG22 ' A' ' 67' ' ' VAL . 5.4 tpp -107.52 101.75 11.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.554 ' ND2' HG21 ' A' ' 15' ' ' VAL . 42.9 t-20 -80.98 139.54 35.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 45.0 t -133.23 102.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.678 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -152.38 165.35 35.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.67 42.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.83 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 47.76 52.96 12.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 80' ' ' CYS . 23.2 m -144.88 156.15 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.6 t -120.74 103.67 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -113.62 119.02 36.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.577 HG22 ' SD ' ' A' ' 58' ' ' MET . 62.3 t -87.0 100.88 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 73' ' ' GLU . 6.9 mt -91.45 157.62 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -77.33 170.37 16.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -88.72 -44.0 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -63.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.39 161.64 14.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.492 ' O ' HD13 ' A' ' 68' ' ' ILE . 3.6 mt-10 -113.59 -32.35 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.32 -22.75 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -63.47 158.89 19.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.7 t -143.42 92.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.87 -50.4 72.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.721 HG21 ' OH ' ' A' ' 22' ' ' TYR . 8.9 t -144.69 142.15 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -126.56 102.19 7.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.544 ' O ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -111.74 150.4 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.275 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -125.34 139.69 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 63' ' ' ALA . 16.9 m -59.06 -19.24 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -27.83 38.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.99 1.18 39.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.81 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -78.89 153.73 30.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -39.66 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.859 ' HB2' HG12 ' A' ' 32' ' ' VAL . 76.1 t80 -178.19 174.08 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.48 ' HE3' HG12 ' A' ' 126' ' ' VAL . 21.3 ptp -170.23 -161.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 149.39 173.02 19.58 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.76 128.82 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.747 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.85 -179.0 2.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -41.76 -45.16 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.236 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -88.98 157.43 18.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 119' ' ' ALA . 33.7 m -83.92 -3.06 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 0.2 OUTLIER -105.07 17.2 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.565 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -125.45 125.6 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.492 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 48.2 t80 -133.99 128.11 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 111' ' ' HIS . . . -142.55 151.87 42.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.81 ' HB2' HD21 ' A' ' 85' ' ' LEU . 8.4 p90 -147.1 141.15 26.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.596 ' O ' HD23 ' A' ' 85' ' ' LEU . 18.0 mt -88.13 129.4 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 27.6 ptm -120.79 164.56 16.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.517 0.198 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.469 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 54.4 mt-10 -103.25 138.82 39.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.0 t -120.24 104.85 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 63.0 m-70 -84.3 143.34 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.594 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.803 HG12 HD13 ' A' ' 23' ' ' LEU . 60.5 t -117.79 139.8 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 91.9 m-85 -146.02 161.42 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -113.88 110.94 20.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.051 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.51 ' HA ' HG12 ' A' ' 20' ' ' VAL . 6.5 m -104.57 147.43 27.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.274 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mt-10 -139.68 149.76 60.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.04 -17.36 20.17 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.938 -2.526 . . . . 0.0 111.038 -0.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 23.7 p30 -140.61 160.03 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -95.29 24.94 4.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.22 -45.82 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -67.62 -44.8 77.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 126' ' ' VAL . 4.7 t -60.97 -66.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.8 t -45.64 -39.02 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.85 -53.88 23.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.18 -28.45 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.48 HG12 ' HE3' ' A' ' 88' ' ' MET . 93.8 t -83.08 -53.97 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -57.07 -46.83 82.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.889 HG22 ' HB2' ' A' ' 61' ' ' ALA . 93.4 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -119.98 109.77 15.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -104.2 125.3 50.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 20' ' ' VAL . 56.9 m-85 -124.13 111.43 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 103.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 18' ' ' PHE . 4.1 m -130.75 161.63 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 47.9 mt-30 -89.25 152.71 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.666 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -103.74 101.59 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.786 HD13 HG12 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -65.71 -45.33 83.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 145.38 161.1 8.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.463 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 28.8 ttp -97.17 107.05 19.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 27' ' ' PRO . 4.6 tt -108.77 127.64 26.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.575 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 163.55 35.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.441 1.759 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.43 HG13 ' C ' ' A' ' 27' ' ' PRO . 34.5 m -153.42 142.92 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.57 -41.41 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.65 114.65 51.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.448 ' C ' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.97 -2.25 12.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.448 HG13 ' C ' ' A' ' 31' ' ' PRO . 33.0 m -154.58 151.51 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.78 120.6 2.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -41.78 93.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -47.11 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 m -49.1 -48.66 44.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.39 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 4.2 tp -45.69 -59.87 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -58.31 -55.6 32.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -41.73 -40.44 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -61.98 -64.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.432 HG12 ' CG1' ' A' ' 112' ' ' VAL . 89.6 mt -48.07 -57.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -46.22 -36.36 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -64.57 -60.31 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.541 HD11 ' O ' ' A' ' 24' ' ' GLY . 13.5 mt -53.62 -47.36 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.958 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 19.9 tttm -64.96 -46.82 79.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.02 -30.01 64.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -21.0 8.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.0 m0 -76.61 127.15 84.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 108.028 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.73 23.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.97 102.2 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.13 173.09 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -118.95 141.95 48.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.9 tpp -104.27 104.83 14.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -81.06 136.59 35.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.26 108.4 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -165.83 168.84 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 t70 40.45 33.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.89 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 54.23 54.34 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ALA . 51.9 m -145.7 153.36 40.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' CYS . 3.3 t -118.67 102.73 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -116.39 124.13 49.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.469 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 87.3 t -89.65 106.37 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 75' ' ' GLU . 16.2 mt -99.5 145.33 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -59.55 171.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -83.73 -46.1 12.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -99.47 64.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 170.32 171.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.3 mt-10 -133.73 -45.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -9.57 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.619 ' O ' HG23 ' A' ' 68' ' ' ILE . 1.1 tt0 -84.91 110.33 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -111.26 99.35 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.43 -53.16 61.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.666 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.6 t -131.33 148.42 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -133.23 101.45 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' VAL . 94.7 m -115.32 150.41 36.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 108.327 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -121.22 136.31 54.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.89 HG22 ' O ' ' A' ' 63' ' ' ALA . 7.5 m -60.92 -19.33 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -21.46 44.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -103.04 -19.98 14.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -49.0 174.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.417 ' H ' HD23 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -142.95 -46.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 88' ' ' MET . 19.2 t80 -167.52 167.25 13.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.511 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 21.0 ptp -167.32 -163.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.408 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 149.62 165.27 12.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 96' ' ' THR . 74.8 t -89.09 120.06 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -50.51 -177.25 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLY . 9.9 mmtt -39.88 -59.6 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.22 161.03 29.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 119' ' ' ALA . 35.2 m -85.8 -10.1 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.475 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -97.44 19.85 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.626 ' O ' HG13 ' A' ' 90' ' ' VAL . 12.0 p -126.6 139.02 53.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -145.86 145.57 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.453 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -164.08 149.69 10.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.901 ' HB2' HD21 ' A' ' 85' ' ' LEU . 16.3 p90 -145.58 143.67 30.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.403 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 14.5 mt -89.22 127.17 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -110.97 165.94 11.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 t0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.403 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 38.0 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.486 0.184 . . . . 0.0 110.961 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.463 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 27.7 mt-10 -115.71 127.56 55.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.0 103.39 12.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 39.9 m-70 -83.91 110.18 18.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.616 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.786 HG12 HD13 ' A' ' 23' ' ' LEU . 98.6 t -89.22 142.98 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 79.7 m-85 -146.66 161.93 39.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.475 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 5.2 t-105 -115.73 114.06 24.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.2 m -109.79 148.31 31.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.2 mt-10 -131.2 145.22 56.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.01 -37.28 2.29 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.009 0.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -126.84 154.65 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -87.81 43.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.08 -41.17 11.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.48 -38.44 49.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.79 -63.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 t -49.13 -36.28 18.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.59 -58.49 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.16 -29.55 2.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 76.4 t -81.67 -47.23 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -60.22 -58.17 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.902 HG22 ' HB2' ' A' ' 61' ' ' ALA . 72.4 t . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.62 110.5 13.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -105.08 124.45 49.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -123.92 115.3 21.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 99.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 m -125.59 157.06 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 50.7 mt-30 -88.42 144.46 26.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.797 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -95.34 101.45 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.798 HD13 HG12 ' A' ' 112' ' ' VAL . 0.7 OUTLIER -65.04 -48.52 73.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.75 176.53 22.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.132 . . . . 0.0 111.036 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.403 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 24.9 ttp -110.62 110.17 20.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.404 HD13 ' HB3' ' A' ' 43' ' ' ASN . 3.1 tt -110.52 127.39 27.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.6 36.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -139.79 141.49 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.36 -45.24 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.38 115.08 46.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -4.24 15.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.8 m -149.97 145.5 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.59 141.73 4.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 mtp -82.61 -40.51 20.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -48.48 -65.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -51.8 -46.06 64.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.45 HD11 ' O ' ' A' ' 98' ' ' ALA . 2.8 tp -49.97 -65.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' A' ' 41' ' ' ILE . 36.9 m-80 -52.95 -52.25 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -44.52 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.01 79.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.459 HD13 ' HA3' ' A' ' 91' ' ' GLY . 69.9 mt -54.84 -63.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -46.88 -37.09 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.404 ' HB3' HD13 ' A' ' 26' ' ' LEU . 3.3 t-20 -64.74 -55.84 17.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 44' ' ' LEU . 9.7 mt -60.64 -38.57 85.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.449 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 17.4 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.586 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 2.1 tttt -66.69 -53.73 30.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.57 -34.99 79.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.12 -24.79 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.586 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 8.4 m0 -74.37 124.07 89.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.17 24.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.97 102.39 4.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.7 m -112.2 173.45 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 70' ' ' GLU . 69.9 m-20 -117.13 143.54 45.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 tpp -106.01 103.88 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -80.9 135.3 35.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.5 t -135.01 103.49 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.902 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -157.86 163.74 37.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t0 41.17 41.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.78 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 49.36 53.41 12.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.538 HG23 ' HG3' ' A' ' 81' ' ' ARG . 53.3 m -142.8 153.44 43.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.8 t -123.08 100.01 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.2 m -113.59 126.4 55.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -88.07 101.87 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 75' ' ' GLU . 6.9 mt -96.23 149.22 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.7 t -71.4 165.79 23.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 13.8 tt0 -82.41 -49.3 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -87.72 47.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.19 168.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -128.46 -48.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.86 -15.64 62.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.2 tt0 -78.25 108.81 11.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.536 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -108.1 94.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -50.84 -49.55 58.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.797 HG21 ' OH ' ' A' ' 22' ' ' TYR . 9.9 t -138.0 147.93 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -128.91 104.83 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.505 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 62.9 m -119.95 144.27 47.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.538 ' HG3' HG23 ' A' ' 64' ' ' THR . 18.6 mtt-85 -120.42 145.2 47.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.78 HG22 ' O ' ' A' ' 63' ' ' ALA . 5.2 m -63.64 -25.13 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.607 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -73.9 -14.88 61.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.607 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 2.3 m-85 -111.02 -3.7 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -72.22 144.05 48.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.2 m -114.08 -30.72 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 88' ' ' MET . 30.0 t80 -178.2 168.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.555 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -165.47 -149.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.67 158.42 9.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.1 t -77.99 138.03 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.459 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -76.13 -167.48 24.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -41.45 -68.83 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.802 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.3 OUTLIER -74.23 150.94 40.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 119' ' ' ALA . 33.3 m -80.23 -1.78 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 1.4 m80 -101.16 22.18 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.57 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 19.4 p -134.3 137.85 44.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.627 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 38.6 t80 -140.01 118.73 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.485 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -130.13 140.42 50.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.849 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.1 p90 -135.75 138.39 42.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.615 ' O ' HD23 ' A' ' 85' ' ' LEU . 39.1 mt -88.09 127.42 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.505 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 23.0 ptm -110.66 156.35 21.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t0 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.503 0.192 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 4.4 mt-10 -105.22 131.94 52.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.485 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 9.0 t -109.26 104.29 13.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 79.6 m-70 -84.12 111.78 19.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.798 HG12 HD13 ' A' ' 23' ' ' LEU . 92.5 t -90.86 143.88 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.6 m-85 -146.81 165.17 30.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 23.4 t-105 -117.4 115.15 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 107.967 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.1 m -114.16 140.32 48.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.1 mp0 -126.55 149.25 67.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.5 Cg_endo -74.89 -22.63 13.61 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.067 -0.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 11.9 p30 -137.48 157.59 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -91.78 35.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -85.85 -51.5 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.55 -48.34 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 126' ' ' VAL . 9.2 t -61.85 -60.5 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 34.3 t -54.17 -26.4 27.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 2.9 mm-40 -80.47 -39.07 28.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.15 -12.74 61.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 122' ' ' VAL . 83.0 t -93.79 -56.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 18.2 pt20 -55.22 -48.55 73.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.483 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.914 HG22 ' CB ' ' A' ' 61' ' ' ALA . 75.5 t . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -124.5 109.77 13.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -105.31 123.9 48.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' HG22 ' A' ' 122' ' ' VAL . 64.9 m-85 -123.98 118.11 26.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.9 107.83 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 56' ' ' VAL . 6.4 m -133.82 157.36 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 67.0 mt-30 -88.39 149.9 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.678 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -100.67 101.92 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.78 HD13 HG12 ' A' ' 112' ' ' VAL . 1.3 mp -66.72 -41.94 87.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.499 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 134.1 162.53 10.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -88.53 133.5 34.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 27' ' ' PRO . 4.2 tt -131.5 127.54 21.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.4 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 151.12 39.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 26.7 m -138.17 169.21 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.44 -55.51 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -89.74 134.6 31.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.745 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.01 -7.76 19.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.772 HG12 ' HB2' ' A' ' 87' ' ' PHE . 19.9 m -136.39 -179.7 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.11 140.32 11.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' LEU . 99.6 mmm -78.94 -45.91 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -40.97 -57.3 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.45 ' CG2' ' HB ' ' A' ' 28' ' ' VAL . 8.5 m -63.47 -33.29 75.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 34' ' ' MET . 3.3 tp -61.79 -71.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -51.45 -52.45 46.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -41.86 -49.72 4.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.036 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.23 -58.36 8.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.543 HG12 HG22 ' A' ' 112' ' ' VAL . 81.8 mt -51.11 -65.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -38.58 -36.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -61.88 -65.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.499 HD11 ' O ' ' A' ' 24' ' ' GLY . 11.4 mt -49.67 -39.54 36.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 m . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 4.4 tttt -64.68 -52.0 59.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.56 -30.62 71.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.86 -19.3 11.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.4 m0 -82.65 126.05 74.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 108.014 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 137.4 21.46 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.57 102.57 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 20' ' ' VAL . 4.8 m -111.61 175.58 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -121.16 143.26 49.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 tpp -105.35 104.39 14.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -82.42 135.02 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.3 t -133.09 111.3 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.914 ' CB ' HG22 ' A' ' 15' ' ' VAL . . . -167.74 169.5 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 t0 39.84 34.48 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.658 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.61 55.67 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 80' ' ' CYS . 37.6 m -148.25 154.66 40.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 65' ' ' VAL . 3.0 t -119.46 99.89 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.447 ' CG2' HG23 ' A' ' 76' ' ' VAL . 43.3 m -111.74 120.28 41.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.419 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 77.3 t -85.54 101.58 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.2 mt -94.73 151.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -65.27 168.22 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -87.87 -48.25 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -90.03 50.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.16 146.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -123.47 70.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' VAL . 2.7 pt-20 178.11 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 7.8 tt0 -67.1 68.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.447 HG23 ' CG2' ' A' ' 66' ' ' THR . 0.9 OUTLIER -56.03 109.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mt -71.66 -48.29 48.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.678 HG21 ' OH ' ' A' ' 22' ' ' TYR . 9.5 t -142.27 141.85 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -123.68 114.99 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.65 ' O ' HG23 ' A' ' 64' ' ' THR . 10.8 t -119.39 148.05 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.301 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -121.26 132.43 54.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.658 HG21 ' HB1' ' A' ' 63' ' ' ALA . 4.4 m -57.89 -20.67 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -27.78 42.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -97.34 -23.63 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.835 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -47.57 161.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.7 -43.31 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.772 ' HB2' HG12 ' A' ' 32' ' ' VAL . 65.1 t80 -176.57 174.14 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.601 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 22.9 ptp -168.92 -159.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 150.15 155.54 6.88 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 t -82.66 118.43 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -49.66 178.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' GLY . 28.4 mttt -40.37 -52.01 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.406 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.5 OUTLIER -82.96 159.16 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 24.9 m -84.27 -11.83 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.1 OUTLIER -94.38 15.42 17.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.607 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 11.8 p -124.03 143.94 50.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.475 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 59.0 t80 -154.1 145.78 23.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.429 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -164.13 151.2 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.835 ' HB2' HD21 ' A' ' 85' ' ' LEU . 16.4 p90 -145.67 144.7 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.745 HG21 ' HA ' ' A' ' 31' ' ' PRO . 18.0 mt -88.53 126.37 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.416 ' O ' ' HA ' ' A' ' 108' ' ' PHE . 27.1 ptm -131.53 163.08 28.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 101' ' ' MET . 15.1 m-85 . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.478 0.18 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -124.01 137.54 54.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.7 t -111.86 118.81 36.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 108.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 79.5 m-70 -99.13 110.42 23.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.78 HG12 HD13 ' A' ' 23' ' ' LEU . 71.3 t -87.09 142.42 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 90.9 m-85 -146.78 167.48 23.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.41 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 5.1 t-105 -125.91 115.31 19.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.998 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.612 ' SG ' HG11 ' A' ' 122' ' ' VAL . 2.8 m -108.78 159.33 16.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 108.339 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mt-10 -143.92 146.56 34.82 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -13.09 23.76 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.998 -0.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 2.4 p30 -150.39 155.47 39.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.29 26.05 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.95 -60.5 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -67.33 -41.46 85.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.612 HG11 ' SG ' ' A' ' 115' ' ' CYS . 25.0 t -58.13 -32.54 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 17.7 t -87.38 -35.39 18.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 3.2 pt-20 -69.77 -47.01 64.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -57.01 -36.26 70.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 122' ' ' VAL . 76.6 t -75.55 -48.24 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -59.76 -53.57 56.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.615 HG22 ' HB2' ' A' ' 61' ' ' ALA . 69.0 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -112.74 109.25 18.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -108.98 125.99 52.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.513 ' O ' HG13 ' A' ' 20' ' ' VAL . 69.2 m-85 -128.81 118.65 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 102.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 18' ' ' PHE . 5.8 m -124.21 156.35 31.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 49.1 mt-30 -90.13 146.66 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.4 112.91 25.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.879 HD13 HG12 ' A' ' 112' ' ' VAL . 2.3 mp -77.94 -43.83 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.635 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 137.05 160.14 8.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 25' ' ' MET . 13.9 tmm? -87.99 131.83 34.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 tt -127.64 127.64 24.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.21 34.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.58 171.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.56 -60.7 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.28 133.86 77.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.2 Cg_endo -74.97 -12.08 21.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.943 HG12 ' HB2' ' A' ' 87' ' ' PHE . 15.9 m -137.4 -171.4 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.37 156.8 27.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.482 ' HE2' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -98.71 -45.92 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.996 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.6 -59.7 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 m -54.99 -42.65 72.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.482 HD22 ' HE2' ' A' ' 34' ' ' MET . 5.0 tp -52.98 -68.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 37.2 m-80 -52.71 -45.51 66.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -46.38 -41.89 14.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.48 -59.12 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.4 mt -47.08 -57.3 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -44.99 -44.2 9.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -59.29 -59.18 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 24' ' ' GLY . 12.8 mt -54.36 -43.79 71.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.44 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 5.7 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.599 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 18.0 tttm -73.82 -51.11 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.04 -36.4 83.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -48.98 -24.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.599 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.1 m0 -75.94 125.23 88.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.15 19.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 102.3 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 m -111.48 167.3 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -111.71 138.79 47.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.0 tpp -101.55 103.73 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 24.0 t-20 -80.71 137.81 36.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.514 HG11 ' O ' ' A' ' 125' ' ' ALA . 73.3 t -135.48 114.29 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.615 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -172.46 169.97 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t0 40.14 37.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.84 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 50.42 51.42 16.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 80' ' ' CYS . 51.8 m -145.46 154.25 42.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.6 t -121.37 102.54 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.8 m -111.18 129.63 55.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.45 104.58 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.8 mt -100.13 153.31 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -68.17 173.27 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -79.86 -42.38 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -87.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -50.99 149.99 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -109.18 -18.65 13.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -92.4 -17.4 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.79 105.12 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -103.58 98.54 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.05 -52.14 66.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.34 148.62 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -134.34 96.82 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.436 ' O ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -104.87 150.41 24.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 108.286 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -122.58 133.85 54.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 63' ' ' ALA . 4.4 m -59.44 -16.24 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -21.12 34.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -9.88 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -63.23 165.88 6.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.61 -43.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.943 ' HB2' HG12 ' A' ' 32' ' ' VAL . 56.9 t80 -173.48 172.82 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.593 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 16.8 ptp -169.9 -159.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 145.24 165.25 11.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 96' ' ' THR . 85.2 t -85.34 124.36 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.17 -175.08 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 70.7 mttt -43.6 -51.73 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.82 161.52 23.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 119' ' ' ALA . 22.8 m -85.2 -12.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -97.2 20.46 11.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 90' ' ' VAL . 1.9 p -126.03 135.9 52.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.452 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 54.7 t80 -145.69 134.12 21.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 111' ' ' HIS . . . -152.04 156.1 39.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.851 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.2 p90 -148.22 149.22 31.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.469 HG21 ' HA ' ' A' ' 31' ' ' PRO . 40.1 mt -92.45 126.8 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.4 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 24.8 ptm -115.74 165.04 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.479 0.18 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -106.1 137.11 44.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 51.0 t -115.08 110.2 19.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 60.7 m-70 -91.38 119.09 31.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.879 HG12 HD13 ' A' ' 23' ' ' LEU . 74.2 t -95.84 143.41 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 84.2 m-85 -146.67 167.79 22.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 17.8 t-105 -122.38 116.68 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 5.3 m -112.74 139.22 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mp0 -124.02 143.16 41.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -42.24 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.002 -0.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 1.7 p30 -120.33 157.29 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -89.59 38.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -83.78 -56.16 3.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -58.62 -50.0 75.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 126' ' ' VAL . 34.8 t -58.61 -69.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 23.0 t -45.99 -25.23 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 7.4 mm-40 -81.37 -43.59 18.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.514 ' O ' HG11 ' A' ' 60' ' ' VAL . . . -67.3 -12.53 60.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.535 HG12 ' CE ' ' A' ' 88' ' ' MET . 63.5 t -96.07 -54.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.505 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 15.8 pt20 -54.97 -48.91 72.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.891 ' HB ' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 8.1 mt-30 -127.73 113.76 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -93.98 120.77 34.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 95.9 m-85 -119.58 127.83 53.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.08 102.32 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 115' ' ' CYS . 29.5 m -124.74 163.73 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 36.6 mt-30 -91.94 145.24 24.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.507 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -96.08 100.99 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.786 HD13 HG12 ' A' ' 112' ' ' VAL . 1.1 mp -63.12 -48.45 78.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 147.27 162.1 9.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 18.6 ttp -94.58 115.85 28.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 0.738 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 27' ' ' PRO . 4.0 tt -116.61 127.32 26.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.444 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.02 157.0 42.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.9 m -138.4 -176.89 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.72 -59.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -82.08 136.57 46.89 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.1 Cg_endo -75.03 -19.21 17.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 m -130.3 166.46 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.91 139.29 6.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -44.57 13.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.85 -62.64 1.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -52.08 -42.56 63.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.37 -64.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -49.5 -57.01 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.3 -48.69 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.55 -58.55 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -48.37 -69.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -40.39 -40.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -53.92 -61.16 2.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.477 HD12 HG21 ' A' ' 112' ' ' VAL . 13.5 mt -52.49 -60.26 3.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 19.9 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 5.9 tttt -76.16 -53.55 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.58 -31.82 72.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.29 -22.13 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 8.3 m0 -78.37 123.4 85.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.07 22.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.564 1.823 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.54 101.89 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' VAL . 16.1 m -110.5 169.15 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 60.1 m-20 -116.51 141.36 48.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.1 tpp -105.2 102.05 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.42 ' OD1' HG21 ' A' ' 15' ' ' VAL . 20.0 t-20 -86.1 124.99 33.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.1 t -118.86 95.23 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.891 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . . . -142.14 166.67 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' ALA . 2.3 t70 37.82 44.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.904 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 45.97 52.1 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 80' ' ' CYS . 34.7 m -144.96 154.98 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' CYS . 4.0 t -118.08 103.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.6 m -113.76 117.51 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 44.5 t -84.55 107.97 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mt -102.63 152.64 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 t -65.87 169.96 5.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.79 -33.5 58.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -88.18 -93.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.89 151.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.85 -13.52 14.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -98.27 -20.44 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.33 101.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.505 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -99.47 93.56 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mt -52.59 -49.58 64.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.507 HG21 ' OH ' ' A' ' 22' ' ' TYR . 9.6 t -137.02 146.42 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -130.11 94.91 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.476 ' O ' HG23 ' A' ' 64' ' ' THR . 68.9 m -103.61 149.91 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.261 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -124.48 135.81 53.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.904 HG22 ' O ' ' A' ' 63' ' ' ALA . 6.4 m -61.15 -16.89 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -17.86 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -111.81 -2.68 15.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.844 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -67.05 162.21 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.7 m -126.58 -42.32 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 88' ' ' MET . 42.0 t80 -175.23 172.46 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.53 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 18.2 ptp -171.33 -161.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.19 -170.49 28.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 96' ' ' THR . 65.3 t -122.62 114.26 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.53 -162.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -40.91 -88.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -50.82 144.66 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 29.3 m -83.59 3.92 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.2 m80 -103.37 19.25 20.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.59 ' O ' HG13 ' A' ' 90' ' ' VAL . 16.6 p -126.7 136.74 52.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 50.3 t80 -143.52 130.5 20.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.703 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -149.01 148.91 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.844 ' HB2' HD21 ' A' ' 85' ' ' LEU . 39.9 p90 -142.24 143.37 32.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.436 HG21 ' HA ' ' A' ' 31' ' ' PRO . 36.4 mt -89.21 117.69 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.417 ' SD ' ' NE2' ' A' ' 111' ' ' HIS . 26.8 ptm -107.86 165.3 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 101' ' ' MET . 26.7 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.5 0.19 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -137.91 121.5 17.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.703 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 47.5 t -95.71 108.19 20.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 108.275 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 68.3 m-70 -89.1 103.83 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.786 HG12 HD13 ' A' ' 23' ' ' LEU . 93.4 t -81.81 141.76 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.0 m-85 -145.94 167.2 23.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -119.69 112.72 19.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.981 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.591 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.1 m -106.38 144.74 32.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.3 mp0 -132.19 147.37 65.52 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.3 Cg_endo -75.05 -12.93 24.01 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.024 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 118' ' ' ASN . 0.0 OUTLIER -150.96 157.68 43.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.459 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -88.94 41.69 1.04 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.91 -44.66 9.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -76.4 -43.28 41.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.473 HG11 ' SG ' ' A' ' 115' ' ' CYS . 2.5 t -59.87 -62.11 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.6 t -50.07 -40.08 44.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.28 -56.1 11.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.85 -37.99 15.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 122' ' ' VAL . 88.0 t -72.74 -48.12 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -58.01 -51.96 67.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.738 HG22 ' HB2' ' A' ' 61' ' ' ALA . 92.3 t . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -112.81 109.4 18.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -109.57 122.3 47.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -122.52 117.23 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -65.17 106.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 m -131.59 159.39 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.1 mt-30 -88.76 143.77 26.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.741 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -96.03 107.48 19.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.735 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -71.84 -43.38 65.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.587 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 142.21 155.95 6.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 12.5 ttp -93.07 108.49 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -110.28 139.31 21.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.97 166.17 29.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 100' ' ' ILE . 5.7 m -150.78 129.62 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -50.36 68.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.47 120.76 71.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 18.2 Cg_endo -74.96 -9.62 20.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.83 139.8 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.47 139.53 3.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -44.89 20.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 111.062 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.99 -59.94 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 m -56.34 -44.61 80.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.54 -60.66 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -58.41 -48.21 81.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -43.78 -43.97 6.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.09 -52.35 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.436 HG12 HG22 ' A' ' 112' ' ' VAL . 68.3 mt -55.29 -62.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -42.98 -42.42 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.415 ' ND2' HD11 ' A' ' 26' ' ' LEU . 44.8 t-20 -56.26 -60.05 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.587 HD11 ' O ' ' A' ' 24' ' ' GLY . 14.9 mt -54.79 -49.32 71.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 23.2 tttm -69.41 -49.06 58.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.95 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.38 -25.29 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.592 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -72.99 122.87 88.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 138.55 23.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.03 102.62 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 m -112.56 179.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -123.37 150.73 43.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.8 ttm -112.12 104.65 12.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -80.7 136.25 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.5 t -135.94 105.51 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.738 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -161.56 167.84 24.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 9.6 t0 40.26 34.42 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.605 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 55.18 55.28 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.467 HG23 ' CG ' ' A' ' 81' ' ' ARG . 17.6 m -145.19 156.23 43.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.463 HG11 ' CE2' ' A' ' 99' ' ' PHE . 2.8 t -123.93 99.75 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.427 HG23 HG23 ' A' ' 76' ' ' VAL . 62.1 m -113.75 129.4 56.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.434 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 57.7 t -90.11 103.31 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 75' ' ' GLU . 7.3 mt -98.23 148.18 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.4 t -61.03 170.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -77.98 -41.72 35.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -89.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -45.89 155.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.38 -16.32 12.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.73 -26.3 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.0 tt0 -64.79 110.07 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.546 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -108.32 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mt -53.09 -55.51 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.741 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.4 t -126.95 148.36 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -129.14 97.17 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.443 ' SG ' ' HE3' ' A' ' 101' ' ' MET . 99.1 m -115.84 150.29 37.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.467 ' CG ' HG23 ' A' ' 64' ' ' THR . 70.2 mtt180 -121.94 -174.97 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.605 HG21 ' HB1' ' A' ' 63' ' ' ALA . 10.3 m -97.26 -33.77 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -67.11 -16.14 64.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 102' ' ' ASP . 18.7 m-85 -106.99 -9.39 16.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -68.87 142.48 54.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.41 -32.26 5.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 88' ' ' MET . 27.3 t80 -177.84 168.88 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.488 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -163.05 -150.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.7 159.24 10.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 96' ' ' THR . 16.2 t -80.11 138.46 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.93 -168.55 4.4 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -45.01 -62.37 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 0.803 . . . . 0.0 109.371 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.09 162.68 27.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.8 m -84.66 -10.02 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 0.1 OUTLIER -96.95 15.64 21.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 90' ' ' VAL . 8.8 p -123.81 136.68 54.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.44 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 55.3 t80 -145.45 147.27 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.51 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -163.95 144.91 8.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.858 ' HB2' HD21 ' A' ' 85' ' ' LEU . 30.6 p90 -136.36 139.93 42.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.6 HD13 HG21 ' A' ' 28' ' ' VAL . 34.8 mt -87.86 125.34 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.443 ' HE3' ' SG ' ' A' ' 80' ' ' CYS . 2.4 ppp? -113.2 165.79 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 84' ' ' PHE . 1.5 t70 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.501 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 26.2 m-85 . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.513 0.197 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.444 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 16.4 mm-40 -132.9 133.53 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.479 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 7.1 t -105.81 125.03 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 59.4 m-70 -103.44 102.36 12.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.735 HG12 HD13 ' A' ' 23' ' ' LEU . 72.1 t -80.13 142.2 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 80.8 m-85 -146.88 166.82 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.409 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 15.0 t-105 -120.67 113.19 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.3 m -110.74 142.24 42.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.8 mt-10 -127.26 143.38 46.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.99 -38.59 1.73 Allowed 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.993 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -125.56 150.75 47.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.44 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -88.24 44.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.59 -48.41 8.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.19 -47.33 84.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.8 -70.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 t -40.82 -36.05 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.06 -53.29 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.43 64.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 96.2 t -65.95 -52.53 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -62.15 -47.16 85.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.894 HG22 ' HB2' ' A' ' 61' ' ' ALA . 78.9 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -118.35 109.47 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.635 ' HD3' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -105.65 129.79 53.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.401 ' CG ' HG22 ' A' ' 122' ' ' VAL . 66.9 m-85 -131.3 121.04 24.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' NH1' ' OE2' ' A' ' 70' ' ' GLU . 3.6 ttt180 -68.74 107.4 3.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.408 HG11 ' SG ' ' A' ' 115' ' ' CYS . 4.3 m -132.41 158.97 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' LYS . 59.8 mt-30 -88.66 146.62 24.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.667 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -99.28 105.78 17.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.8 HD13 HG12 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -71.66 -47.29 55.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.2 178.33 21.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.53 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 26.5 ttp -109.05 119.31 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.793 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 27' ' ' PRO . 2.4 tt -117.59 127.95 26.33 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.416 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.02 153.67 41.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 m -144.36 153.73 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.65 -46.2 9.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.2 118.33 71.88 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -4.74 15.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.9 m -144.52 156.77 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.05 148.33 7.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -44.35 9.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 0.804 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -66.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -51.84 -46.44 64.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.43 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 ' O ' ' A' ' 89' ' ' GLY . 2.6 tp -49.9 -53.48 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -67.35 -55.96 11.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.11 -40.47 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.98 -48.97 77.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.2 -62.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -40.81 -38.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.87 -63.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -54.75 -36.4 64.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 2.2 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.588 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.1 tttm -67.11 -50.75 60.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -67.71 -31.32 71.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -19.66 18.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.588 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.9 m0 -80.6 124.44 82.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.025 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.42 24.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.61 102.25 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.4 m -110.35 175.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -118.67 143.94 46.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.9 tpp -107.6 102.57 11.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -80.86 136.94 36.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.4 t -135.43 103.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.894 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -157.0 166.43 33.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ALA . 2.0 t0 40.28 36.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.767 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.15 55.75 8.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 80' ' ' CYS . 45.3 m -145.89 154.93 42.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.8 t -120.14 99.64 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.8 m -112.2 119.37 38.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.44 100.6 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 75' ' ' GLU . 6.4 mt -94.91 143.68 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.672 ' HA ' HD11 ' A' ' 77' ' ' LEU . 31.2 t -59.91 161.81 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' OE2' ' NH1' ' A' ' 19' ' ' ARG . 8.2 tt0 -74.38 -51.33 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -65.41 -85.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -60.78 151.18 30.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -110.46 -26.21 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.98 -9.08 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.785 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.3 tm-20 -81.71 138.33 35.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.34 99.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 69' ' ' SER . 6.7 mt -61.86 -52.08 65.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.667 HG21 ' OH ' ' A' ' 22' ' ' TYR . 7.2 t -145.52 144.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -124.28 112.84 17.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.591 ' O ' HG23 ' A' ' 64' ' ' THR . 3.6 t -119.89 149.57 41.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 108.285 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -124.55 133.57 53.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.767 HG21 ' HB1' ' A' ' 63' ' ' ALA . 7.3 m -58.07 -19.65 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.619 ' CZ ' ' CE2' ' A' ' 84' ' ' PHE . 1.9 ppt_? -79.91 -15.56 57.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.619 ' CE2' ' CZ ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -111.05 -3.5 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.865 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.81 148.24 42.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -114.74 -32.3 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.6 ' CE1' ' O ' ' A' ' 88' ' ' MET . 38.5 t80 -176.89 172.38 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.6 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -163.31 -149.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.577 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 126.51 155.16 8.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 96' ' ' THR . 84.9 t -77.75 140.98 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.31 -169.79 10.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -42.9 -62.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.85 162.25 27.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.0 m -84.7 -12.78 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -93.83 17.72 11.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.797 ' O ' HG13 ' A' ' 90' ' ' VAL . 5.1 p -126.25 133.85 51.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.604 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 49.0 t80 -138.03 139.31 39.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 111' ' ' HIS . . . -150.82 148.04 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.865 ' HB2' HD21 ' A' ' 85' ' ' LEU . 9.4 p90 -141.69 137.12 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.753 ' O ' HD23 ' A' ' 85' ' ' LEU . 61.0 mt -88.1 125.16 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.419 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 24.1 ptm -117.21 152.06 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.532 0.206 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -108.9 138.32 45.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 t -116.94 107.3 14.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 89.5 m-70 -89.76 121.94 32.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.8 HG12 HD13 ' A' ' 23' ' ' LEU . 87.1 t -98.46 139.81 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 89.3 m-85 -146.1 164.43 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.548 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 5.5 t-105 -124.31 119.3 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.408 ' SG ' HG11 ' A' ' 20' ' ' VAL . 3.2 m -115.22 151.74 33.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.513 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.3 mt-10 -129.86 142.56 45.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -50.07 0.2 Allowed 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.044 -0.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -113.43 149.26 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.604 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -88.52 42.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 124' ' ' GLU . . . -79.2 -56.51 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.32 -54.66 37.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 126' ' ' VAL . 55.1 t -51.17 -29.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.3 t -89.83 -28.43 19.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.526 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 2.8 pt-20 -76.92 -47.69 20.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.526 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -55.96 -35.33 66.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 122' ' ' VAL . 63.3 t -72.83 -52.79 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -55.71 -55.12 36.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 1.105 HG22 ' HB2' ' A' ' 61' ' ' ALA . 77.2 t . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -123.5 109.96 14.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -105.86 127.35 53.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -130.23 115.61 17.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 55' ' ' SER . 1.6 ttt180 -65.1 99.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' VAL . 26.1 m -123.24 156.6 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.431 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.2 mt-30 -88.75 139.45 30.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.571 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -91.9 103.0 15.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.825 HD13 HG12 ' A' ' 112' ' ' VAL . 1.1 mp -66.78 -47.96 70.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.522 ' C ' HD11 ' A' ' 44' ' ' LEU . . . 149.62 179.33 25.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 11.3 ttp -112.52 116.74 30.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tt -118.26 127.47 26.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.25 33.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.8 m -136.56 146.14 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.06 -45.55 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 115.51 46.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.39 19.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 87' ' ' PHE . 20.7 m -146.19 154.94 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.17 153.79 8.73 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mtp -97.44 -45.47 6.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 111.037 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.56 -66.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -53.35 -48.45 68.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.705 HD21 ' O ' ' A' ' 89' ' ' GLY . 2.7 tp -44.98 -49.78 11.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -65.7 -56.38 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.6 t -41.84 -44.81 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.59 75.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.37 -62.19 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -39.48 -32.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -70.86 -66.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.522 HD11 ' C ' ' A' ' 24' ' ' GLY . 8.5 mt -52.27 -25.49 9.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.452 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 11.2 m . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 10.6 tttm -67.64 -52.92 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.37 -41.33 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -45.11 -26.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.605 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -73.46 122.06 86.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.003 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.505 ' O ' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.97 132.14 15.12 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -67.25 102.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 54' ' ' PRO . 11.4 m -113.66 171.44 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -115.1 147.68 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.9 ttm -109.82 101.03 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 18.8 t-20 -81.14 131.4 35.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.494 HG22 HG22 ' A' ' 65' ' ' VAL . 48.4 t -135.24 106.39 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 1.105 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -138.58 147.41 42.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.99 -73.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.748 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -179.31 35.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 80' ' ' CYS . 25.9 m -128.92 155.12 45.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.494 HG22 HG22 ' A' ' 60' ' ' VAL . 4.3 t -119.32 101.47 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.724 HG22 HG23 ' A' ' 76' ' ' VAL . 27.7 m -108.25 119.22 38.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' LEU . 56.2 t -84.4 105.92 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 73' ' ' GLU . 36.6 mt -98.72 156.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -82.81 170.08 15.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -84.61 -37.88 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -73.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -107.45 -176.7 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 68' ' ' ILE . 43.8 mm-40 -109.71 -49.34 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.62 -19.34 25.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.33 71.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.724 HG23 HG22 ' A' ' 66' ' ' THR . 2.2 p -72.21 104.36 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' VAL . 5.3 mt -61.8 -53.35 57.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.571 HG21 ' OH ' ' A' ' 22' ' ' TYR . 5.1 t -138.85 153.74 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -134.16 107.11 7.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.641 ' O ' HG23 ' A' ' 64' ' ' THR . 2.4 t -112.04 145.96 38.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -123.49 136.9 54.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.748 HG21 ' HB1' ' A' ' 63' ' ' ALA . 16.0 m -59.87 -22.93 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 84' ' ' PHE . 0.5 OUTLIER -77.72 -24.98 48.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -103.46 3.3 34.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.909 HD23 ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -81.97 151.77 27.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 m -115.8 -34.54 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 88' ' ' MET . 39.2 t80 -178.26 172.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.605 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -162.43 -149.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.705 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 126.49 153.0 8.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 96' ' ' THR . 69.5 t -78.12 147.22 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.36 -165.55 36.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -40.41 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.53 160.65 28.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' HG11 ' A' ' 90' ' ' VAL . 32.7 m -83.67 -9.76 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 1.5 m80 -89.07 11.22 19.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.556 ' O ' HG13 ' A' ' 90' ' ' VAL . 4.4 p -125.02 135.27 52.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -139.01 143.72 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.618 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -155.97 151.48 27.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.756 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.1 p90 -145.38 139.87 27.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.909 ' O ' HD23 ' A' ' 85' ' ' LEU . 43.4 mt -88.07 128.58 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.481 ' HE3' ' HB2' ' A' ' 101' ' ' MET . 27.3 ptm -128.58 165.09 21.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 t0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.958 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 . . . . . 0 N--CA 1.453 -0.291 0 CA-C-O 120.478 0.18 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.414 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 25.2 mm-40 -121.59 145.9 47.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.618 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 48.6 t -121.83 113.06 19.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 67.4 m-70 -92.28 110.28 21.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.825 HG12 HD13 ' A' ' 23' ' ' LEU . 88.5 t -86.48 141.55 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 93.9 m-85 -146.98 167.3 24.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.506 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 10.7 t-105 -123.06 119.8 31.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.2 m -115.61 148.01 40.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.3 mt-10 -132.32 145.43 57.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.0 Cg_endo -75.05 -33.82 3.81 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.974 0.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 118' ' ' ASN . 0.0 OUTLIER -128.82 153.39 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -90.38 40.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -90.33 -29.67 17.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -84.63 -34.1 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.242 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.35 -62.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 t -49.88 -37.58 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 9.1 mm-40 -64.3 -59.24 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.68 -30.48 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.494 HG22 ' CG2' ' A' ' 65' ' ' VAL . 97.1 t -82.35 -52.25 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -56.91 -54.04 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.855 HG22 ' HB2' ' A' ' 61' ' ' ALA . 80.7 t . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -125.43 110.6 14.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -102.4 131.75 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -130.39 113.98 15.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -65.63 108.68 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 115' ' ' CYS . 11.7 m -134.34 154.95 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 50' ' ' LYS . 59.7 mt-30 -88.44 143.43 26.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.621 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -94.11 106.16 18.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -73.84 -44.71 54.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.42 162.4 9.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -90.01 131.87 35.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tt -130.05 127.53 22.69 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.52 38.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.87 147.11 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.01 -50.51 14.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 115.38 55.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.602 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.0 -7.79 19.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.449 1.763 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 87' ' ' PHE . 31.2 m -138.88 147.96 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.75 165.09 11.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.32 -40.34 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.58 -64.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -52.57 -48.44 66.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 98' ' ' ALA . 2.3 tp -45.75 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 58.4 m-80 -48.79 -53.38 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.54 -53.87 4.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.29 -54.19 39.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.87 -56.5 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -51.39 -49.24 61.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -54.33 -48.91 70.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' MET . 13.3 mt -64.71 -50.86 65.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 19.3 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -62.28 -48.47 79.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -65.79 -38.74 89.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.17 -23.12 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.532 ' CH2' HD21 ' A' ' 23' ' ' LEU . 15.3 m0 -81.05 123.85 81.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.525 ' O ' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.96 130.05 12.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.39 102.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 54' ' ' PRO . 5.8 m -111.11 176.68 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -120.91 151.65 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.6 ttm -113.65 105.67 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -82.89 137.35 34.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.4 t -135.34 109.41 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.855 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -163.98 168.57 19.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' ALA . 4.8 t0 39.83 36.53 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.612 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.25 55.09 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 80' ' ' CYS . 2.6 m -145.2 160.54 41.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.565 HG21 HG13 ' A' ' 126' ' ' VAL . 3.6 t -129.13 99.67 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.623 HG23 HG13 ' A' ' 76' ' ' VAL . 18.8 m -114.06 125.9 54.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.418 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 59.9 t -86.56 105.64 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.87 144.06 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.497 ' HA ' HD11 ' A' ' 77' ' ' LEU . 4.2 t -60.3 170.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -92.51 -47.54 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.3 50.27 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 167.13 98.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.73 56.61 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.32 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.85 116.56 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.623 HG13 HG23 ' A' ' 66' ' ' THR . 41.0 t -95.39 103.33 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 69' ' ' SER . 6.1 mt -65.55 -60.53 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.621 HG21 ' OH ' ' A' ' 22' ' ' TYR . 2.7 t -126.16 143.99 37.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -119.61 97.27 5.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' VAL . 72.4 m -115.84 150.47 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.569 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 72.8 mtt-85 -123.88 -174.59 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.612 HG21 ' HB1' ' A' ' 63' ' ' ALA . 12.4 m -99.08 -31.34 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -71.48 -16.97 62.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 20.2 m-85 -107.45 -3.69 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.846 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -74.54 147.55 41.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -114.27 -38.57 4.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 88' ' ' MET . 38.6 t80 -178.17 171.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.529 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 10.2 ptp -170.58 -157.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.21 -175.13 26.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 119' ' ' ALA . 77.0 t -103.71 119.73 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -49.52 178.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.434 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 2.7 mttm -40.43 -51.43 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -81.98 161.91 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 119' ' ' ALA . 32.6 m -83.95 -8.68 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.402 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -102.7 25.53 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.634 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 p -130.88 127.54 38.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.423 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 49.7 t80 -137.49 127.42 25.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.441 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -143.87 151.69 40.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.846 ' HB2' HD21 ' A' ' 85' ' ' LEU . 8.2 p90 -145.37 145.19 31.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.602 HG21 ' HA ' ' A' ' 31' ' ' PRO . 15.4 mt -90.8 125.59 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 19.0 ptm -110.54 164.02 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.446 0.165 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -104.03 133.84 48.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.4 t -112.51 110.94 21.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 51.2 m-70 -92.37 117.45 29.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 23' ' ' LEU . 78.7 t -95.23 143.93 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.5 m-85 -146.85 165.21 30.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.402 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 8.0 t-105 -117.88 112.69 20.69 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.479 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.3 m -105.7 146.29 29.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.9 mt-10 -132.06 142.73 46.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -74.98 -44.51 0.55 Allowed 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.044 -0.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 11.9 p30 -116.74 157.07 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.369 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -90.59 38.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -88.72 -40.68 13.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -73.15 -40.87 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.6 t -64.36 -65.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 5.8 t -46.72 -39.6 11.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.08 -58.6 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.359 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.01 -32.84 48.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.565 HG13 HG21 ' A' ' 65' ' ' VAL . 79.4 t -77.9 -47.86 24.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 123' ' ' SER . 6.8 mm-40 -58.93 -54.13 50.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.844 HG22 ' CB ' ' A' ' 61' ' ' ALA . 94.7 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 18.8 mt-30 -123.04 110.03 14.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -103.01 125.58 49.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 79.9 m-85 -125.5 112.98 16.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.3 100.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' VAL . 17.4 m -125.45 158.22 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.57 145.79 25.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.635 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -96.69 102.38 14.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -66.65 -47.69 71.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.407 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 141.66 165.03 10.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -93.25 133.38 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 0.803 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tt -134.63 127.39 18.55 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.22 36.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.97 163.54 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.03 -42.72 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.2 mtt85 -94.24 129.32 37.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.088 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -9.26 20.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 87' ' ' PHE . 11.4 m -139.66 178.59 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.83 145.08 17.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.81 -45.58 11.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -43.92 -61.61 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -54.88 -39.96 69.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.44 -61.09 2.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -53.42 -53.02 57.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.71 -46.88 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.7 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' A' ' 98' ' ' ALA . 90.9 mt -48.3 -65.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -40.91 -43.78 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -52.7 -60.84 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.407 HD11 ' O ' ' A' ' 24' ' ' GLY . 12.9 mt -52.43 -58.08 7.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 10.4 tttm -75.15 -51.07 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -66.04 -31.56 72.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -30.58 24.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 8.8 m0 -68.59 128.63 92.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 107.971 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.8 22.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.46 102.35 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' VAL . 8.4 m -112.36 168.79 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -112.92 141.91 46.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 tpp -105.37 107.11 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -82.84 136.91 34.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.8 t -135.41 109.88 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.844 ' CB ' HG22 ' A' ' 15' ' ' VAL . . . -167.54 169.91 11.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t70 40.36 32.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.699 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 54.47 53.53 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 80' ' ' CYS . 49.9 m -146.28 153.91 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.82 104.61 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.446 ' CG2' HG23 ' A' ' 76' ' ' VAL . 94.4 m -116.64 119.99 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' VAL . 57.7 t -85.52 107.95 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.409 HG21 ' HA ' ' A' ' 73' ' ' GLU . 16.6 mt -101.99 156.13 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.3 t -77.24 167.36 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 7.4 tt0 -83.1 -49.0 9.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 46.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 167.61 150.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HA ' HG21 ' A' ' 68' ' ' ILE . 5.8 pt-20 -113.67 -28.53 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -90.9 17.33 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -108.39 77.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.446 HG23 ' CG2' ' A' ' 66' ' ' THR . 1.3 p -76.41 96.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.74 -42.75 99.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.635 HG21 ' OH ' ' A' ' 22' ' ' TYR . 5.4 t -145.33 143.08 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -128.12 114.45 17.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 64' ' ' THR . 0.5 OUTLIER -125.05 150.16 47.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.437 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 16.2 mtt85 -123.29 138.4 54.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.699 HG21 ' HB1' ' A' ' 63' ' ' ALA . 5.3 m -61.48 -14.8 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.625 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -82.95 -16.06 48.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -111.47 -15.54 13.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.862 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -58.24 153.44 15.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.81 -36.32 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 88' ' ' MET . 44.2 t80 -178.16 174.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.598 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.41 -148.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.93 154.21 7.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.0 t -79.39 126.43 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.5 -176.91 0.32 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.55 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.68 166.41 15.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 30.1 m -86.07 -12.3 11.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.6 OUTLIER -97.93 27.3 4.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.613 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.6 p -130.07 143.67 50.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -150.79 137.8 19.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.427 ' HB3' HD11 ' A' ' 41' ' ' ILE . . . -153.75 142.72 21.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.862 ' HB2' HD21 ' A' ' 85' ' ' LEU . 9.3 p90 -136.51 138.34 41.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.667 ' O ' HD23 ' A' ' 85' ' ' LEU . 26.5 mt -87.92 131.36 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.509 ' SD ' ' CD2' ' A' ' 111' ' ' HIS . 27.9 ptm -126.75 164.93 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.483 0.182 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.1 mt-10 -108.9 140.53 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.7 t -120.68 104.14 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.268 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 79.9 m-70 -84.47 110.85 18.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.793 HG12 HD13 ' A' ' 23' ' ' LEU . 96.9 t -89.34 142.67 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 93.2 m-85 -146.82 167.48 23.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -121.45 115.58 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.029 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.5 m -111.82 149.05 32.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 16.4 mt-10 -135.94 151.13 73.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.577 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.2 Cg_endo -75.04 -9.66 24.13 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.956 0.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 3.0 p30 -155.61 153.96 30.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.1 42.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.82 -39.87 12.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -76.47 -40.74 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 126' ' ' VAL . 13.3 t -63.85 -66.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.6 t -47.02 -37.61 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.2 -56.08 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.06 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 122' ' ' VAL . 96.7 t -73.48 -50.45 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.38 -54.02 51.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.66 HG21 ' ND2' ' A' ' 59' ' ' ASN . 1.5 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -104.35 109.32 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -108.22 127.2 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -127.14 116.36 20.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 101.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.634 HG12 ' HA ' ' A' ' 115' ' ' CYS . 31.5 m -126.78 156.26 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 51.9 mt-30 -88.51 140.31 29.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.591 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -91.45 101.01 13.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.729 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -64.0 -45.83 87.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.628 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 143.49 158.92 7.75 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 15.7 ttp -90.92 129.18 36.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 27' ' ' PRO . 1.4 tt -130.17 127.91 22.67 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.439 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 161.17 39.24 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.5 m -142.13 165.71 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -89.2 -52.49 5.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -86.02 143.94 38.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.55 16.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.949 HG12 ' HB2' ' A' ' 87' ' ' PHE . 34.0 m -137.3 -177.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.99 130.97 5.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -45.8 41.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.09 -61.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -55.11 -49.08 72.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.3 tp -46.4 -63.38 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -53.38 -54.9 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.35 -41.05 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -62.17 -59.18 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -49.59 -66.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -40.94 -41.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -52.97 -62.02 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.628 HD11 ' O ' ' A' ' 24' ' ' GLY . 12.3 mt -53.35 -57.45 10.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.3 tttm -68.5 -53.21 24.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.27 -32.24 73.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -20.71 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.592 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -78.73 122.85 85.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.98 26.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 102.01 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 m -110.04 179.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -125.38 141.14 52.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.435 ' SD ' HG22 ' A' ' 67' ' ' VAL . 8.7 tpp -107.88 101.42 10.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.66 ' ND2' HG21 ' A' ' 15' ' ' VAL . 38.0 t-20 -80.9 142.24 33.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.406 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 90.8 t -135.4 101.24 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.567 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -151.2 165.16 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 41.29 39.14 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.8 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 50.99 52.28 15.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 80' ' ' CYS . 4.8 m -142.89 159.17 42.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.7 t -123.45 102.05 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.456 HG23 HG13 ' A' ' 76' ' ' VAL . 22.9 m -114.06 119.78 38.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.435 HG22 ' SD ' ' A' ' 58' ' ' MET . 60.7 t -85.29 103.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 mt -96.78 143.99 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.3 t -67.44 149.88 49.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.93 -57.33 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 54.82 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.9 164.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.8 -43.5 1.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.59 -9.26 58.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.17 105.56 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 HG23 ' A' ' 66' ' ' THR . 83.8 t -98.41 104.11 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.34 -61.4 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.591 HG21 ' OH ' ' A' ' 22' ' ' TYR . 4.1 t -131.4 139.61 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -120.42 96.27 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.492 ' O ' HG23 ' A' ' 64' ' ' THR . 80.0 m -109.45 148.94 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -126.06 154.15 43.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 63' ' ' ALA . 10.6 m -73.25 -22.09 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -77.88 -15.47 59.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.624 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 1.1 m-85 -110.66 -20.9 12.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.873 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -51.91 165.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.6 m -131.95 -44.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.949 ' HB2' HG12 ' A' ' 32' ' ' VAL . 59.4 t80 -173.8 171.84 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.519 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 22.4 ptp -166.48 -160.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 148.67 156.42 7.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 96' ' ' THR . 71.7 t -84.28 119.48 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.51 -174.34 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -40.63 -64.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.66 161.05 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' ALA . 24.0 m -86.0 -9.5 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.3 m80 -96.06 18.98 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 90' ' ' VAL . 3.0 p -125.25 136.85 53.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.438 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 73.1 t80 -148.84 136.08 20.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -155.44 143.69 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.873 ' HB2' HD21 ' A' ' 85' ' ' LEU . 46.3 p90 -138.01 144.17 40.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 87' ' ' PHE . 20.2 mt -89.48 122.62 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.42 ' O ' ' HA ' ' A' ' 108' ' ' PHE . 2.4 ppp? -115.38 165.94 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 101' ' ' MET . 18.0 m-85 . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.449 0.166 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -126.07 136.6 53.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.506 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 53.4 t -109.72 130.35 55.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.333 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 73.7 m-70 -112.97 105.87 14.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.729 HG12 HD13 ' A' ' 23' ' ' LEU . 88.6 t -83.87 142.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.3 m-85 -146.76 167.74 23.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.458 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 16.2 t-105 -119.53 111.02 17.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.634 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.8 m -103.69 149.48 24.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 108.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.518 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 22.1 mt-10 -137.55 147.76 58.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.56 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.2 Cg_endo -75.03 -9.3 24.03 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.951 -2.52 . . . . 0.0 110.997 -0.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.26 161.98 41.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.456 ' HB3' HG22 ' A' ' 90' ' ' VAL . . . -92.13 28.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -77.76 -43.3 31.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.42 -43.87 47.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.1 t -59.99 -67.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.225 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.2 t -43.71 -43.96 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.12 -54.53 32.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.63 -36.76 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 93.8 t -74.84 -47.01 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -60.54 -54.12 49.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.229 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.842 HG22 ' HB2' ' A' ' 61' ' ' ALA . 92.6 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' MET . 12.5 mt-30 -114.85 109.04 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -111.24 124.67 52.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.481 ' O ' HG13 ' A' ' 20' ' ' VAL . 73.5 m-85 -126.68 115.78 19.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.19 101.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.242 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 18' ' ' PHE . 6.0 m -125.54 158.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 55.1 mt-30 -88.35 140.8 29.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.76 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -94.04 100.82 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.901 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -64.0 -47.85 78.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.76 -173.74 29.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.441 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 23.2 ttp -120.1 108.25 14.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 27' ' ' PRO . 1.2 tt -107.39 131.11 21.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.479 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.0 Cg_endo -75.03 155.61 42.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -141.07 140.59 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.65 -45.33 59.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -86.5 132.47 42.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.53 17.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -132.28 172.81 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.04 135.6 6.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.3 mtp -81.86 -39.23 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -62.18 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -54.37 -43.71 71.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 89' ' ' GLY . 5.3 tp -49.5 -59.03 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -63.16 -54.69 33.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -48.77 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.53 64.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.3 mt -50.92 -65.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -39.08 -40.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.426 ' HB3' HD13 ' A' ' 26' ' ' LEU . 2.0 t-20 -61.2 -62.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -54.57 -45.6 73.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 111.027 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.441 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 73.8 m . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.596 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.3 tttm -68.77 -53.38 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.92 -35.2 79.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -26.33 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.596 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 10.1 m0 -73.61 124.42 90.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.06 31.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 103.27 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' A' ' 77' ' ' LEU . 13.1 m -112.37 161.51 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -113.42 133.91 54.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' GLN . 21.2 tpp -92.76 100.15 12.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -80.66 132.41 35.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.476 HG22 HG22 ' A' ' 65' ' ' VAL . 93.5 t -135.91 110.34 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.842 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -142.78 141.36 31.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 1.7 t70 66.24 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.753 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 178.3 36.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.507 HG23 ' HG3' ' A' ' 81' ' ' ARG . 24.6 m -127.09 149.9 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.477 HG21 HG13 ' A' ' 126' ' ' VAL . 4.9 t -118.01 100.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.402 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 42.4 m -110.69 125.15 53.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -87.23 105.93 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mt -98.04 151.99 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.2 t -73.84 158.55 34.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 4.3 tt0 -65.5 -47.5 75.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 68.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.0 135.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -107.13 -11.64 15.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -105.44 -24.87 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.55 107.79 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.574 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -104.95 92.48 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 56' ' ' VAL . 12.1 mt -49.65 -55.11 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.76 HG21 ' OH ' ' A' ' 22' ' ' TYR . 13.5 t -133.1 150.31 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -131.66 99.08 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 63.8 m -111.62 143.48 42.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.507 ' HG3' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -117.47 149.44 40.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.753 HG21 ' HB1' ' A' ' 63' ' ' ALA . 18.5 m -61.59 -33.71 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.416 ' HD2' ' CG ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -66.22 -33.88 76.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.416 ' CG ' ' HD2' ' A' ' 83' ' ' ARG . 1.6 m-85 -85.12 -18.97 32.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.889 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -63.65 143.51 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.11 -32.47 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 88' ' ' MET . 36.7 t80 -177.87 170.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.602 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.06 -148.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.666 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 130.97 153.38 7.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.14 149.18 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.7 -174.7 50.54 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -43.41 -50.4 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.87 155.69 19.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 119' ' ' ALA . 19.3 m -81.8 -7.22 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.5 OUTLIER -101.57 18.65 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.639 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 p -128.17 131.71 48.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -136.57 139.93 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.575 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -152.62 141.29 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.889 ' HB2' HD21 ' A' ' 85' ' ' LEU . 6.5 p90 -137.53 140.73 41.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.515 ' O ' HD23 ' A' ' 85' ' ' LEU . 64.8 mt -88.02 133.9 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.504 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 25.5 ptm -119.37 165.01 14.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.549 0.214 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -118.7 138.82 52.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.46 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 16.5 t -115.18 108.37 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 108.249 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 80.4 m-70 -88.79 112.09 22.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.901 HG12 HD13 ' A' ' 23' ' ' LEU . 92.0 t -88.23 141.02 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.0 m-85 -146.17 164.94 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.428 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 7.7 t-105 -122.05 113.48 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.2 m -108.6 152.73 24.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 108.269 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.516 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 38.2 mt-10 -138.79 150.8 66.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -75.0 -9.63 24.01 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.021 0.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 5.4 p30 -154.88 155.95 35.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.02 37.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.04 -36.59 19.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -81.37 -38.44 26.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.76 -64.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.9 t -47.03 -40.69 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.58 -55.55 14.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -50.38 -42.88 54.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.477 HG13 HG21 ' A' ' 65' ' ' VAL . 87.3 t -67.45 -51.82 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.81 -57.62 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.916 HG22 ' HB2' ' A' ' 61' ' ' ALA . 70.1 t . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 25.2 mt-30 -117.31 109.48 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD3' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -103.04 129.17 49.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 91.5 m-85 -124.8 111.75 15.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.17 100.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 115' ' ' CYS . 34.4 m -129.48 160.89 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 47.7 mt-30 -88.75 154.85 19.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.486 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -107.27 101.33 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.743 HD13 HG12 ' A' ' 112' ' ' VAL . 2.5 mp -65.23 -43.01 92.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.59 168.2 11.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.417 ' CG ' ' HB3' ' A' ' 109' ' ' GLU . 13.6 tmm? -93.66 137.8 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.402 ' N ' ' SD ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -135.93 128.29 17.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.62 43.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.69 133.82 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.26 -44.73 82.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 118.63 72.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 108' ' ' PHE . 18.3 Cg_endo -75.01 -9.27 20.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 87' ' ' PHE . 19.5 m -146.33 147.44 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.03 145.3 4.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.1 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -43.35 12.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.23 -65.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -50.17 -43.89 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -50.52 -67.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 45.5 m-80 -50.86 -49.43 59.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.36 -50.91 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.6 mt -44.98 -63.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -49.69 -34.46 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -60.85 -55.7 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.98 -57.75 11.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.537 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 2.5 m . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 9.9 tttt -83.68 -50.48 8.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.25 -26.03 66.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.68 -23.48 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 9.6 m0 -76.12 128.17 83.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 107.975 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.38 25.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.34 102.42 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 m -112.03 173.35 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -119.11 141.99 48.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.9 tpp -102.53 101.32 11.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -80.62 135.87 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -135.34 106.19 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.916 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -159.62 166.85 29.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.6 t0 41.71 33.82 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.649 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 55.62 54.77 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.7 m -145.02 158.73 43.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' CYS . 4.6 t -124.78 100.48 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.411 ' CG2' HG23 ' A' ' 76' ' ' VAL . 95.6 m -113.45 129.79 56.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.4 t -92.07 102.51 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.52 HD13 ' O ' ' A' ' 73' ' ' GLU . 11.1 mt -96.27 147.18 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.9 t -73.28 165.53 24.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -82.24 -35.59 28.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -75.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.74 171.11 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -110.46 -18.53 13.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 2.6 pt-20 -88.66 -22.41 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.59 108.43 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.583 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -106.73 92.55 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.69 -56.28 12.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.486 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.4 t -126.58 149.61 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -130.52 95.07 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.458 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 84.8 m -112.65 150.44 31.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 51.6 mtt85 -122.17 -174.5 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.649 HG21 ' HB1' ' A' ' 63' ' ' ALA . 23.5 m -98.91 -27.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -75.22 -16.67 60.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.571 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 21.7 m-85 -110.48 -0.22 17.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.96 152.87 39.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.39 -41.12 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 88' ' ' MET . 26.8 t80 -176.61 169.26 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.513 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 18.7 ptp -169.01 -160.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.61 -164.14 28.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 119' ' ' ALA . 77.2 t -116.54 121.35 67.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.5 -176.86 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.401 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 12.2 mmmt -40.38 -61.93 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -74.24 152.92 39.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 119' ' ' ALA . 21.4 m -78.35 -5.59 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.554 ' O ' ' CE3' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -103.2 43.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 16.6 p -151.4 132.14 14.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.566 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 50.8 t80 -141.8 124.05 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -143.1 152.42 41.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.849 ' HB2' HD21 ' A' ' 85' ' ' LEU . 32.0 p90 -143.05 141.37 31.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 17.2 mt -88.58 114.93 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.458 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 24.5 ptm -98.09 161.35 13.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 31' ' ' PRO . 34.7 m-85 . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.501 0.191 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 65.2 mt-10 -106.18 129.28 54.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.9 t -104.59 109.5 21.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 78.3 m-70 -90.46 102.48 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.743 HG12 HD13 ' A' ' 23' ' ' LEU . 73.4 t -82.65 144.86 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 91.9 m-85 -146.99 162.75 38.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.554 ' CE3' ' O ' ' A' ' 95' ' ' HIS . 32.8 t-105 -115.06 111.42 21.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.473 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.1 m -109.71 145.18 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.534 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.7 mt-10 -132.09 147.25 65.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.01 -35.37 2.94 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.974 0.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -124.02 156.7 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -89.33 41.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.94 -51.09 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -58.84 -49.27 78.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 126' ' ' VAL . 21.1 t -59.9 -66.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.472 ' HA ' ' CE1' ' A' ' 97' ' ' PHE . 21.2 t -45.12 -37.85 4.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.35 -57.75 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.08 -29.67 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 122' ' ' VAL . 84.2 t -77.6 -56.56 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -54.69 -46.11 74.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.281 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.935 HG22 ' HB2' ' A' ' 61' ' ' ALA . 53.4 t . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.67 110.08 15.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -105.43 130.17 53.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -129.28 115.86 18.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 99.94 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' VAL . 13.7 m -124.81 154.85 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -88.24 144.3 26.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -94.96 102.97 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.63 HD13 HG12 ' A' ' 112' ' ' VAL . 0.6 OUTLIER -68.12 -43.23 78.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.588 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 142.4 156.38 6.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.466 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 26.2 ttp -94.42 107.22 19.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 0.806 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' HD2' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -105.91 141.43 22.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HD2' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 169.05 23.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.78 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG13 ' C ' ' A' ' 27' ' ' PRO . 20.8 m -152.26 166.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.74 -41.8 4.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 118.58 63.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.0 -5.54 16.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.81 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG13 ' C ' ' A' ' 31' ' ' PRO . 16.4 m -152.16 154.34 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' ASP . . . 137.19 -16.06 3.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 68.02 -59.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.937 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -39.71 -55.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -60.43 -40.31 90.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.687 HD12 HG13 ' A' ' 100' ' ' ILE . 0.7 OUTLIER -54.93 -54.45 42.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -62.44 -51.67 66.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -40.43 -45.41 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.3 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.431 HG12 HG13 ' A' ' 112' ' ' VAL . 95.8 mt -53.97 -65.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -42.25 -42.13 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -56.57 -59.76 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.588 HD11 ' O ' ' A' ' 24' ' ' GLY . 10.7 mt -51.87 -51.93 53.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.431 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 3.2 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 17.9 tttm -73.56 -49.46 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -65.5 -35.83 82.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -49.05 -28.68 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.587 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 7.8 m0 -73.14 125.51 90.9 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 108.04 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 137.69 22.14 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.43 102.66 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' VAL . 12.7 m -112.9 168.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -114.37 138.23 50.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.51 ' SD ' HG13 ' A' ' 122' ' ' VAL . 58.6 ttm -100.74 104.52 15.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 26.0 t-20 -80.64 136.36 36.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.595 HG11 ' O ' ' A' ' 125' ' ' ALA . 48.3 t -133.85 109.56 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.935 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -164.27 166.3 21.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' ALA . 13.1 t0 40.23 35.23 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.686 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.39 55.6 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 80' ' ' CYS . 19.2 m -144.88 157.15 44.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 65' ' ' VAL . 3.7 t -122.32 99.61 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.583 HG22 HG23 ' A' ' 76' ' ' VAL . 29.3 m -111.88 119.85 39.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.424 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.417 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 59.6 t -85.64 106.51 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.2 mt -99.63 159.77 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.7 t -85.18 166.08 16.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -88.11 -34.78 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.319 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -65.41 -51.99 56.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -115.41 167.25 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -109.6 -17.1 13.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.07 10.3 41.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -97.41 74.62 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 66' ' ' THR . 1.6 p -73.41 97.76 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' VAL . 6.9 mt -60.55 -46.18 91.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.0 150.35 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -133.33 97.35 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.54 ' O ' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -111.81 151.09 29.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.577 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 46.4 mtt180 -123.98 168.99 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.686 HG21 ' HB1' ' A' ' 63' ' ' ALA . 13.4 m -83.44 -28.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -75.25 -16.24 60.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.577 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 17.7 m-85 -110.61 -1.92 16.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -76.12 154.21 35.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.5 m -117.76 -36.49 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.956 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.607 ' CE2' ' O ' ' A' ' 88' ' ' MET . 40.2 t80 -178.4 173.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.607 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -162.84 -150.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.9 156.28 8.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 96' ' ' THR . 69.2 t -81.08 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.67 -171.96 2.15 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -43.54 -64.08 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.58 163.28 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 119' ' ' ALA . 35.0 m -85.32 -8.77 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -99.39 17.1 21.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.605 ' O ' HG13 ' A' ' 90' ' ' VAL . 4.7 p -122.58 129.65 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.557 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 47.3 t80 -140.02 127.07 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.43 145.48 33.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.733 ' HB2' HD21 ' A' ' 85' ' ' LEU . 6.9 p90 -132.75 140.0 47.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.687 HG13 HD12 ' A' ' 37' ' ' LEU . 41.8 mt -89.72 126.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.504 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 26.4 ptm -120.12 165.18 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 101' ' ' MET . 25.7 m-85 . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.525 0.202 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.466 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 18.7 mt-10 -128.32 135.88 50.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.95 112.28 23.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 81.4 m-70 -93.76 105.74 17.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.566 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.63 HG12 HD13 ' A' ' 23' ' ' LEU . 87.4 t -82.38 142.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.8 m-85 -146.85 161.17 41.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . 0.426 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 27.9 t-105 -114.57 111.52 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.02 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.4 m -109.63 143.51 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.5 mt-10 -131.6 149.28 73.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -26.28 9.41 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.997 0.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -134.91 156.87 48.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -90.15 39.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.42 -41.99 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -72.44 -42.65 64.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.51 HG13 ' SD ' ' A' ' 58' ' ' MET . 2.8 t -63.36 -66.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.4 t -45.14 -37.78 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.38 -58.51 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.595 ' O ' HG11 ' A' ' 60' ' ' VAL . . . -51.76 -22.79 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 72.2 t -91.16 -45.73 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . 0.451 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 2.2 mm-40 -64.39 -54.91 25.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.597 HG21 ' ND2' ' A' ' 59' ' ' ASN . 1.7 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -104.27 109.32 21.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -109.57 123.03 48.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 20' ' ' VAL . 81.8 m-85 -123.76 118.72 27.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.01 99.9 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 18' ' ' PHE . 9.9 m -125.37 157.99 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 54.3 mt-30 -88.69 154.83 19.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.666 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -106.92 103.26 12.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.775 HD13 HG12 ' A' ' 112' ' ' VAL . 1.9 mp -67.49 -47.32 70.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.34 -176.32 28.13 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.517 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 11.7 ttp -114.93 114.9 26.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.73 128.21 25.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.417 ' C ' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 156.12 42.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG13 ' C ' ' A' ' 27' ' ' PRO . 14.7 m -151.48 148.54 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.23 -43.4 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.48 119.04 75.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.4 Cg_endo -74.98 -8.59 20.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 87' ' ' PHE . 18.3 m -142.48 155.21 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.81 114.58 2.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mtp -63.14 -39.17 93.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.27 -67.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -52.45 -46.52 66.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.15 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -47.94 -39.36 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -36.96 85.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.44 -32.25 72.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.547 HG12 HG13 ' A' ' 112' ' ' VAL . 10.1 mt -69.71 -70.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.528 ' N ' HG22 ' A' ' 41' ' ' ILE . 5.6 pt-20 -37.61 -47.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.505 ' N ' ' CG ' ' A' ' 42' ' ' GLU . 3.9 t-20 -59.69 -54.68 43.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.2 mt -64.92 -14.07 58.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.552 ' HG2' HD21 ' A' ' 23' ' ' LEU . 51.2 mtp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 8.5 tttm -64.53 -55.64 19.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.49 -30.7 71.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -22.08 9.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TRP . . . . . 0.587 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 7.5 m0 -77.49 127.22 83.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.24 25.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.76 102.29 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 m -110.72 176.18 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -119.32 141.14 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.436 ' SD ' HG22 ' A' ' 67' ' ' VAL . 9.1 tpp -106.82 98.19 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.597 ' ND2' HG21 ' A' ' 15' ' ' VAL . 44.5 t-20 -80.76 140.52 35.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.432 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 44.1 t -133.6 108.74 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.494 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -158.19 165.13 35.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' ALA . 16.2 t0 40.38 42.01 1.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 48.79 53.26 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 80' ' ' CYS . 23.7 m -146.42 155.08 42.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.498 HG21 HG13 ' A' ' 126' ' ' VAL . 2.7 t -120.3 99.64 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.471 ' CG2' HG23 ' A' ' 76' ' ' VAL . 69.5 m -107.83 119.55 39.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.436 HG22 ' SD ' ' A' ' 58' ' ' MET . 61.4 t -85.48 106.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.1 mt -101.06 151.53 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.1 t -68.55 157.1 36.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -68.74 -48.85 62.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 64.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 166.4 113.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.04 62.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -178.1 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -65.87 69.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.471 HG23 ' CG2' ' A' ' 66' ' ' THR . 1.5 p -62.81 100.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.69 -46.99 88.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.666 HG21 ' OH ' ' A' ' 22' ' ' TYR . 20.1 t -143.02 143.43 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.2 98.06 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.617 ' O ' HG23 ' A' ' 64' ' ' THR . 4.3 t -100.0 146.03 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 108.312 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -125.5 131.35 52.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 63' ' ' ALA . 3.6 m -59.95 -18.53 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.99 -20.53 38.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -107.84 -3.4 19.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.17 152.35 41.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 m -117.17 -35.56 4.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 88' ' ' MET . 35.4 t80 -177.52 168.53 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.603 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 19.8 ptp -169.23 -164.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.39 176.08 20.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 96' ' ' THR . 99.2 t -94.09 138.25 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.79 -175.66 15.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -42.05 -57.32 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.52 151.64 30.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 25.1 m -77.48 -6.79 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.83 39.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.563 ' O ' HG13 ' A' ' 90' ' ' VAL . 12.2 p -151.23 128.08 10.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.668 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 27.3 t80 -133.97 133.68 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -147.58 152.58 38.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.793 ' HB2' HD21 ' A' ' 85' ' ' LEU . 8.7 p90 -146.41 143.06 28.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.566 ' O ' HD23 ' A' ' 85' ' ' LEU . 50.8 mt -88.47 126.91 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.412 ' O ' ' HA ' ' A' ' 108' ' ' PHE . 26.4 ptm -124.56 163.13 22.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' A' ' 101' ' ' MET . 19.5 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.509 0.195 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.481 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 46.3 mm-40 -114.28 152.02 32.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 t -126.39 112.35 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 63.9 m-70 -94.17 113.96 25.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.637 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.775 HG12 HD13 ' A' ' 23' ' ' LEU . 89.3 t -91.6 143.33 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.7 m-85 -146.75 163.1 37.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -118.11 122.54 43.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.0 m -124.55 142.31 51.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 108.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.2 mt-10 -124.2 146.5 51.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.05 -44.52 0.55 Allowed 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.948 0.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 1.2 p30 -117.88 151.2 37.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.668 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -88.14 44.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.92 -52.79 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -57.81 -49.94 74.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.9 t -57.75 -68.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.9 t -43.82 -40.63 4.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.7 -55.04 14.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.18 -34.31 44.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.498 HG13 HG21 ' A' ' 65' ' ' VAL . 69.1 t -74.81 -48.02 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -62.08 -50.26 72.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -47.77 -58.67 4.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.776 . . . . 0.0 110.012 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.43 139.9 35.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.29 -148.85 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.501 1.126 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.2 t -118.64 154.34 32.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.755 . . . . 0.0 109.989 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.89 168.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.022 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.74 107.01 1.44 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.479 1.112 . . . . 0.0 111.011 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.91 5.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.735 HG23 ' HD2' ' A' ' 10' ' ' PRO . 2.5 m -134.8 146.64 59.71 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.735 ' HD2' HG23 ' A' ' 9' ' ' THR . 18.3 Cg_endo -74.99 63.93 6.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.52 1.8 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -176.23 126.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.263 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.4 p -128.19 176.63 7.51 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.352 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -102.96 166.7 10.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.279 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -85.6 128.15 34.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.871 HG22 ' HB2' ' A' ' 61' ' ' ALA . 77.1 t -123.58 141.69 42.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -118.51 109.69 16.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.623 ' HD3' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -104.62 131.18 52.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.285 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CD2' HG22 ' A' ' 122' ' ' VAL . 70.6 m-85 -130.77 115.65 16.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.094 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.49 100.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 1.075 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 56' ' ' VAL . 11.5 m -125.92 158.12 35.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.12 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.9 mt-30 -88.48 153.04 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.741 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -105.4 103.83 13.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 111.0 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -68.65 -46.92 67.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.541 1.151 . . . . 0.0 109.249 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.19 -174.4 30.43 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.458 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 18.6 ttp -116.41 110.29 18.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 0.752 . . . . 0.0 111.007 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 27' ' ' PRO . 3.7 tt -111.74 127.6 26.64 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.132 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.441 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.4 Cg_endo -75.05 155.89 42.72 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.506 1.793 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 15.1 m -144.2 150.63 16.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.37 -50.14 8.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.22 115.28 53.51 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.308 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.587 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.2 Cg_endo -75.05 -5.33 16.63 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.432 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.8 m -142.29 142.68 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.39 160.04 9.04 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.552 1.157 . . . . 0.0 110.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -101.49 -47.6 4.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 0.0 110.98 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.01 -60.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 109.337 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 m -56.39 -42.38 77.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 110.404 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD11 ' O ' ' A' ' 98' ' ' ALA . 2.6 tp -53.52 -61.15 2.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -54.69 -51.52 65.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 39.2 t -47.27 -46.33 24.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.977 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.29 -56.43 22.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.132 . . . . 0.0 109.284 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 83.5 mt -52.22 -67.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.089 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -39.45 -40.98 0.91 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.524 1.14 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -61.05 -56.82 16.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.164 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 47' ' ' SER . 11.8 mt -61.72 -47.87 83.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 1.3 mtt -38.21 -58.94 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.8 p -56.81 -37.36 71.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 44' ' ' LEU . 3.6 m -76.66 129.43 36.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.968 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m 62.06 129.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.023 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 74.5 m -62.23 179.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.0 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.475 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 19.0 tttm -72.95 -50.55 22.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.2 -27.01 68.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.424 1.077 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -63.09 -37.75 88.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.513 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 11.0 m0 -61.36 127.22 87.98 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 108.004 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.404 ' O ' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.99 135.08 18.61 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.53 102.47 3.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.44 1.087 . . . . 0.0 109.993 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 20' ' ' VAL . 4.5 m -111.73 175.33 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -121.79 140.8 51.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.2 tpp -102.78 103.89 14.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.978 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 22.0 t-20 -81.31 136.84 35.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.453 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 81.0 t -135.32 113.05 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.871 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -166.3 166.82 16.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.3 t70 40.73 37.41 0.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.783 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 53.17 54.06 10.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 80' ' ' CYS . 16.5 m -145.43 158.78 43.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.401 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.427 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.5 t -126.92 102.89 10.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.594 ' CG2' HG13 ' A' ' 76' ' ' VAL . 99.6 m -115.3 122.1 44.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.095 . . . . 0.0 110.397 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.448 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 87.8 t -85.48 107.14 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.796 HG23 ' O ' ' A' ' 75' ' ' GLU . 13.7 mt -99.38 145.29 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.518 ' HA ' HD11 ' A' ' 77' ' ' LEU . 6.2 t -62.01 177.5 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.983 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.438 ' N ' ' OG ' ' A' ' 69' ' ' SER . 7.1 tt0 -93.02 -42.47 9.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.307 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.8 mmtp -95.89 47.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.348 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.4 m120 172.43 111.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.61 1.68 50.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -106.28 -43.3 4.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.796 ' O ' HG23 ' A' ' 68' ' ' ILE . 10.1 tt0 -52.61 139.91 24.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.594 HG13 ' CG2' ' A' ' 66' ' ' THR . 47.0 t -124.66 93.59 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.427 1.08 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.518 HD11 ' HA ' ' A' ' 69' ' ' SER . 3.6 mt -56.88 -64.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.741 HG21 ' OH ' ' A' ' 22' ' ' TYR . 24.8 t -125.03 141.88 43.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -123.26 101.3 7.3 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.41 ' O ' HG23 ' A' ' 64' ' ' THR . 94.7 m -113.08 150.06 32.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 108.26 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.8 mtm180 -126.92 141.9 51.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 63' ' ' ALA . 5.8 m -62.24 -20.82 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.66 -22.71 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -105.31 0.43 27.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.873 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -76.77 161.94 28.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -126.82 -43.22 1.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.526 ' CD2' ' N ' ' A' ' 88' ' ' MET . 43.5 t80 -171.43 173.19 4.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 111.018 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.526 ' N ' ' CD2' ' A' ' 87' ' ' PHE . 16.9 ptp -172.24 -158.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 143.38 170.84 13.35 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.494 1.121 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.505 HG11 ' HA ' ' A' ' 94' ' ' VAL . 73.5 t -91.45 125.7 44.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -61.91 -171.7 1.17 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.464 1.103 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -40.37 -65.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.769 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.402 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -75.99 147.44 38.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.289 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.505 ' HA ' HG11 ' A' ' 90' ' ' VAL . 21.2 m -76.59 -4.46 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.2 m80 -99.34 36.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 109.616 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 23.4 p -150.46 139.45 21.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.417 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.482 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 49.0 t80 -140.67 127.39 20.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.623 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -140.58 146.92 38.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.873 ' HB2' HD21 ' A' ' 85' ' ' LEU . 18.1 p90 -144.41 140.48 29.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.587 HG21 ' HA ' ' A' ' 31' ' ' PRO . 21.1 mt -88.0 123.14 40.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.1 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.401 ' SD ' ' SG ' ' A' ' 80' ' ' CYS . 26.1 ptm -110.01 165.03 12.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -114.81 118.61 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.9 p -101.89 -36.29 8.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.407 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 132.69 162.38 10.25 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.513 1.133 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.424 ' O ' ' C ' ' A' ' 106' ' ' GLN . 2.9 m120 63.3 55.01 1.92 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 0.752 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 105' ' ' ASN . 3.8 mt-30 37.34 49.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.54 135.18 49.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.35 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.414 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 31.5 m-85 -131.32 139.3 49.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 84.2 mt-10 -120.85 134.66 55.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.291 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.623 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 19.0 t -110.21 112.08 23.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 108.287 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.535 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 78.7 m-70 -91.49 109.96 21.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.611 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.793 HG12 HD13 ' A' ' 23' ' ' LEU . 97.2 t -86.11 143.02 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.347 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.535 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 96.9 m-85 -146.78 164.69 31.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.157 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -120.25 116.52 25.74 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.9 m -115.69 144.71 43.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 108.306 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.0 mp0 -128.59 149.55 72.17 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.595 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.3 Cg_endo -75.0 -12.69 23.92 Favored 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.0 -0.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 118' ' ' ASN . 0.3 OUTLIER -157.1 148.27 21.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -81.59 51.62 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.49 -48.71 6.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.265 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -71.58 -42.15 68.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.464 HG22 ' CD2' ' A' ' 18' ' ' PHE . 14.6 t -59.64 -58.68 6.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 6.8 t -52.58 -41.48 63.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.9 -55.95 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -49.89 -34.18 19.47 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.6 t -81.42 -44.44 20.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.497 ' CG ' ' O ' ' A' ' 123' ' ' SER . 4.6 mm100 -60.51 -54.79 41.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.23 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.08 -31.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.643 ' CB ' HG11 ' A' ' 82' ' ' VAL . . . -80.45 -54.63 5.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 43.4 m -55.17 -61.91 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 108.309 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.7 t 39.76 90.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -122.92 169.56 15.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.483 1.114 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.12 21.1 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.444 1.76 . . . . 0.0 111.015 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.2 -24.16 13.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 47.53 50.43 14.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 O-C-N 124.448 1.093 . . . . 0.0 110.966 -179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.9 p -115.26 161.58 18.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 0.75 . . . . 0.0 109.983 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 p -169.72 146.78 3.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 142.73 7.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.498 1.123 . . . . 0.0 110.991 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.36 158.39 2.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.765 . . . . 0.0 109.973 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 p -177.17 -41.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.72 155.48 0.39 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.478 1.111 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 140.53 25.57 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.993 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 66.2 p -57.0 157.7 10.6 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 74.97 3.84 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.514 1.797 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.31 170.07 18.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.3 t -169.82 145.8 3.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.7 142.87 45.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -54.77 149.68 10.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.877 HG22 ' HB2' ' A' ' 61' ' ' ALA . 93.9 t -135.57 150.43 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 27.5 mt-30 -121.94 110.03 15.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -102.53 125.07 49.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.549 ' O ' HG13 ' A' ' 20' ' ' VAL . 81.4 m-85 -124.18 110.17 14.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.046 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.435 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.16 99.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.335 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.549 HG13 ' O ' ' A' ' 18' ' ' PHE . 3.3 m -127.69 162.57 33.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 31.0 mt-30 -88.49 161.89 16.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.142 . . . . 0.0 110.329 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -113.57 102.15 10.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD13 HG12 ' A' ' 112' ' ' VAL . 1.2 mp -64.51 -45.99 84.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.69 169.98 11.93 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.8 tmm? -97.64 135.79 38.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 111.026 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -135.69 127.47 17.48 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.28 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 146.93 33.44 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.46 1.768 . . . . 0.0 111.045 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.3 m -142.12 146.71 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.89 -56.92 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 118.33 62.87 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.606 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.03 -11.64 21.42 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.795 HG12 ' HB2' ' A' ' 87' ' ' PHE . 18.8 m -138.45 174.93 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 103.56 148.9 20.17 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.93 -35.39 17.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 0.789 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -49.05 -66.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 16.8 m -51.01 -47.81 61.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.425 HD11 ' O ' ' A' ' 98' ' ' ALA . 4.1 tp -44.79 -68.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -50.36 -57.02 8.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.21 -47.12 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.978 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -57.45 -58.14 9.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 69.3 mt -52.02 -65.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.67 ' O ' HG22 ' A' ' 46' ' ' THR . 26.9 mt-10 -38.85 -37.69 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.89 -65.45 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.448 HD12 HG21 ' A' ' 112' ' ' VAL . 13.9 mt -49.56 -54.64 17.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -64.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 42' ' ' GLU . 7.9 t -78.32 57.16 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 2.7 t -154.61 -61.88 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -108.6 160.33 16.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.971 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.7 m -75.69 164.0 26.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.47 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 10.2 tttm -67.31 -52.85 35.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -64.41 -27.63 69.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 110.299 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -17.82 16.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.488 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 9.2 m0 -82.08 127.59 71.22 Favored Pre-proline 0 C--N 1.326 -0.452 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 139.12 23.8 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.457 1.767 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.9 102.07 5.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.953 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' VAL . 12.1 m -111.06 171.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.4 m-20 -116.03 136.68 52.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 10.0 tpp -99.64 107.37 19.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -85.31 137.3 33.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.572 1.17 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 70.0 t -135.39 110.68 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 109.273 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.877 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -167.25 168.17 13.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.279 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.1 t0 41.53 37.35 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.797 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 50.77 51.89 16.06 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.555 HG23 ' O ' ' A' ' 80' ' ' CYS . 52.4 m -144.15 155.05 43.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.446 HG21 HG13 ' A' ' 126' ' ' VAL . 3.0 t -119.89 101.37 11.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.64 ' CG2' HG13 ' A' ' 76' ' ' VAL . 95.0 m -111.6 133.0 54.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.401 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.59 103.28 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.8 mt -95.88 143.89 11.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.327 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.474 ' HA ' HD11 ' A' ' 77' ' ' LEU . 28.8 t -65.38 170.93 4.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.93 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.435 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 9.1 tt0 -97.4 -47.67 5.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.63 -36.97 74.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -123.66 115.3 21.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -82.17 52.45 2.01 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -158.0 -44.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -52.77 119.03 4.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.64 HG13 ' CG2' ' A' ' 66' ' ' THR . 54.3 t -94.94 93.15 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.474 HD11 ' HA ' ' A' ' 69' ' ' SER . 3.2 mt -56.89 -60.57 3.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.51 147.68 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -131.33 101.27 5.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.555 ' O ' HG23 ' A' ' 64' ' ' THR . 0.9 OUTLIER -108.51 150.39 27.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.438 1.086 . . . . 0.0 108.31 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.4 mtp85 -123.58 136.65 54.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.797 HG22 ' O ' ' A' ' 63' ' ' ALA . 14.1 m -60.03 -18.99 16.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.415 ' HG3' ' N ' ' A' ' 84' ' ' PHE . 0.6 OUTLIER -81.03 -25.66 36.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.415 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -101.03 -8.45 22.33 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.841 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -65.33 161.06 20.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.122 . . . . 0.0 109.348 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 72.2 m -124.23 -41.8 2.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.795 ' HB2' HG12 ' A' ' 32' ' ' VAL . 42.6 t80 -177.35 172.69 1.83 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.507 1.129 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.529 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 15.3 ptp -169.56 -158.75 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.962 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 150.87 175.4 22.77 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.986 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.6 t -97.39 115.11 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -51.24 -175.79 0.02 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.454 1.096 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -40.78 -72.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 0.749 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.403 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.5 OUTLIER -64.43 164.08 12.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 22.7 m -86.84 -12.52 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.48 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -95.65 22.92 6.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.571 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 20.0 p -126.13 145.78 50.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 47.0 t80 -156.07 139.44 15.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.425 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -156.77 152.16 26.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.841 ' HB2' HD21 ' A' ' 85' ' ' LEU . 10.7 p90 -146.76 140.98 26.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.606 HG21 ' HA ' ' A' ' 31' ' ' PRO . 17.3 mt -88.23 121.47 38.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.406 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 26.7 ptm -110.93 161.42 15.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.96 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -115.52 122.46 45.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.9 p -100.87 -49.06 4.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.352 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 149.97 155.47 6.83 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.41 ' O ' ' C ' ' A' ' 106' ' ' GLN . 0.7 OUTLIER 68.95 56.29 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.41 ' C ' ' O ' ' A' ' 105' ' ' ASN . 3.6 mt-30 38.19 56.87 1.68 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -128.83 142.0 51.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.478 1.111 . . . . 0.0 110.279 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.407 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 19.1 m-85 -137.42 127.26 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 66.7 mt-10 -114.08 134.49 54.84 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.579 1.174 . . . . 0.0 110.32 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.403 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 10.2 t -111.96 108.75 18.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 108.312 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.573 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 76.9 m-70 -89.33 111.46 22.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.615 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.817 HG12 HD13 ' A' ' 23' ' ' LEU . 63.2 t -88.81 143.11 11.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.573 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.9 m-85 -146.65 162.33 38.67 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.48 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 15.8 t-105 -120.59 109.14 14.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 108.017 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 2.9 m -105.67 153.78 21.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 18.4 mt-10 -139.0 149.74 62.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -8.0 23.49 Favored 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 121.008 -2.497 . . . . 0.0 111.007 0.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.414 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 11.9 p30 -158.1 157.67 33.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.21 23.94 3.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -72.93 -40.71 65.21 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -76.81 -36.24 57.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.9 t -68.37 -66.17 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.475 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 13.7 t -46.42 -38.2 8.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -66.86 -49.66 64.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.274 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.64 -27.37 69.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.484 HG12 ' CE ' ' A' ' 88' ' ' MET . 69.2 t -83.57 -42.98 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.536 1.147 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.475 ' CG ' ' O ' ' A' ' 123' ' ' SER . 5.7 mm-40 -64.36 -49.96 69.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 110.341 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.93 -27.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.722 ' HB1' HG11 ' A' ' 82' ' ' VAL . . . -78.24 -62.54 1.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 38.8 t -51.94 -38.88 58.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.339 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 34.9 t -63.43 -63.56 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.026 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 118.85 -155.88 15.89 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.45 1.094 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 87.93 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.0 m -153.28 135.44 14.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 110.01 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 3.9 t -136.72 164.84 27.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.99 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.456 1.097 . . . . 0.0 111.043 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -124.8 146.51 49.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 0.802 . . . . 0.0 110.034 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.32 165.83 14.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.941 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.58 106.74 2.58 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.507 1.13 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 p -81.93 131.96 35.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.39 111.2 12.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.007 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.2 122.28 7.28 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 59.44 5.21 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.521 1.8 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.2 p 38.76 88.66 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.407 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 75.91 3.54 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.509 1.794 . . . . 0.0 111.026 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.32 134.05 46.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.312 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.4 t -171.99 154.42 3.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 62.77 143.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.56 1.163 . . . . 0.0 110.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.51 167.28 9.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.897 HG22 ' HB2' ' A' ' 61' ' ' ALA . 72.6 t -131.52 147.54 32.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.554 1.159 . . . . 0.0 109.336 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -121.78 109.93 15.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.317 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -105.15 130.17 53.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -125.84 120.86 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.84 100.83 1.61 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 110.247 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.695 HG12 ' HA ' ' A' ' 115' ' ' CYS . 17.8 m -128.28 156.32 40.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 58.4 mt-30 -88.57 143.54 26.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.565 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.5 OUTLIER -94.46 114.93 27.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.919 HD13 HG12 ' A' ' 112' ' ' VAL . 1.6 mp -80.51 -44.43 19.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 143.04 177.24 17.84 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.477 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 21.4 ttp -108.76 113.58 26.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 0.764 . . . . 0.0 111.021 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tt -109.75 127.43 27.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 149.52 36.74 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.543 1.812 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.7 m -140.39 166.67 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.43 -54.8 3.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.91 121.39 85.07 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.464 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.02 -8.26 19.89 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.474 1.776 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.4 m -136.79 -172.22 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.132 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.15 155.5 32.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.56 -39.58 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 0.756 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -47.29 -62.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.3 m -53.46 -45.1 69.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 0.0 110.401 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 tp -48.0 -69.09 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.4 m-80 -49.89 -50.15 47.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.098 . . . . 0.0 109.246 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -44.13 -49.5 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.69 -64.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 82.2 mt -41.71 -68.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -40.55 -43.68 1.92 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -52.52 -60.13 3.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.7 mt -55.93 -59.26 5.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.31 -64.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 76.1 p -69.39 60.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.405 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.3 t -169.1 -65.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.007 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -94.68 149.09 21.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.542 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 15.5 m -73.05 176.49 5.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.03 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 1.7 tttt -77.59 -52.48 8.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.65 -28.33 69.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -58.68 -18.14 28.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.583 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 10.5 m0 -84.23 125.02 73.31 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 108.035 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 141.0 26.03 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 110.966 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -74.8 103.19 4.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.008 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.3 m -111.92 172.67 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -121.49 136.05 54.98 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.1 tpp -97.22 104.44 16.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 28.9 t-20 -80.79 137.59 36.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.42 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 71.5 t -135.21 103.66 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.897 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -159.3 168.29 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.0 t0 40.25 32.81 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.845 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 54.87 53.75 10.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 61' ' ' ALA . 55.3 m -144.9 153.87 42.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.7 t -117.41 99.98 9.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.8 m -111.53 125.17 53.62 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.38 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 48.7 t -90.16 111.82 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 40.9 mt -107.12 157.24 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.269 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.7 t -71.05 166.75 20.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.029 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -75.22 -34.54 61.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -85.73 -90.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.285 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -47.24 156.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -116.36 -8.65 11.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -104.03 -20.79 13.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -70.35 102.16 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.479 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -99.85 95.81 4.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.52 -51.04 66.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.565 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.8 t -134.09 151.07 31.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -133.64 95.16 3.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.256 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.411 ' O ' HG23 ' A' ' 64' ' ' THR . 66.6 m -104.43 150.48 24.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 108.277 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -125.87 138.99 53.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.845 HG22 ' O ' ' A' ' 63' ' ' ALA . 14.6 m -60.05 -19.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.298 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -22.96 40.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -105.52 0.33 26.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.866 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -75.23 157.7 34.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 35.1 m -122.65 -41.03 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.51 ' CD1' ' N ' ' A' ' 88' ' ' MET . 32.9 t80 -174.06 170.53 3.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.51 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 15.1 ptp -170.65 -158.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.061 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.424 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 146.15 177.64 20.98 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.695 HG22 ' HB3' ' A' ' 119' ' ' ALA . 40.8 t -97.92 119.56 46.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.35 -174.15 0.19 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -40.1 -73.74 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 0.797 . . . . 0.0 109.266 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.4 OUTLIER -60.19 163.85 4.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 119' ' ' ALA . 24.7 m -86.38 -11.1 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 109.36 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.7 OUTLIER -100.99 31.85 3.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 4.7 p -132.24 133.71 44.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.509 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 48.0 t80 -146.58 121.63 10.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.53 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -137.01 149.27 47.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.355 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.866 ' HB2' HD21 ' A' ' 85' ' ' LEU . 23.4 p90 -145.25 142.68 29.72 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.137 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.464 HG21 ' HA ' ' A' ' 31' ' ' PRO . 21.0 mt -87.9 132.34 33.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 21.8 ptm -124.7 164.91 18.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -123.34 116.5 23.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.415 HG21 ' OE2' ' A' ' 109' ' ' GLU . 60.4 p -95.82 -18.41 20.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 110.383 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 105' ' ' ASN . . . 147.84 143.78 3.88 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.504 1.127 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 104' ' ' GLY . 3.6 m-20 80.48 -160.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 0.765 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -92.79 18.25 9.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -95.78 153.26 17.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -140.1 150.87 44.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.415 ' OE2' HG21 ' A' ' 103' ' ' THR . 22.4 mt-10 -124.98 139.07 54.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.53 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 49.5 t -118.46 110.32 17.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.277 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.568 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 87.0 m-70 -90.83 116.25 28.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.597 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.919 HG12 HD13 ' A' ' 23' ' ' LEU . 74.0 t -91.98 141.59 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.1 m-85 -146.82 162.86 37.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.438 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 9.8 t-105 -116.53 103.0 9.97 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.695 ' HA ' HG12 ' A' ' 20' ' ' VAL . 8.9 m -94.64 151.64 19.14 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 108.287 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 30.2 mt-10 -140.86 150.43 59.64 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.289 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.529 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.4 Cg_endo -74.95 -9.81 23.89 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.004 -0.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 16.9 p30 -151.43 160.2 43.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.354 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.695 ' HB3' HG22 ' A' ' 90' ' ' VAL . . . -91.78 33.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -87.63 -46.17 9.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.0 -43.52 67.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.488 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.9 t -61.23 -65.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 30.2 t -48.79 -33.92 11.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -70.01 -57.15 5.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.261 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.83 -24.36 22.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.325 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.634 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 99.2 t -87.78 -53.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 123' ' ' SER . 0.9 OUTLIER -52.34 -56.23 16.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.88 -32.2 1.04 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 126' ' ' VAL . . . -69.18 -66.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 47.6 t -43.85 -59.67 2.15 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 1.124 . . . . 0.0 108.318 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.01 -62.57 1.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.037 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 143.62 -160.96 27.75 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.49 1.118 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 83.57 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 111.023 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 15.9 m -154.53 136.03 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.976 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.1 t -155.19 79.42 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.97 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 m 56.62 166.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.777 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.9 p -144.46 170.64 15.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.19 -155.71 8.44 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.494 1.121 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.13 166.57 3.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 0.748 . . . . 0.0 109.969 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.2 p -175.69 166.06 3.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.14 116.12 0.69 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 176.84 9.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 70.9 p -101.09 107.92 52.27 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.409 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 172.01 17.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.539 1.81 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 159.87 29.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.2 t -170.25 140.06 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.374 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -126.04 83.26 2.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.352 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.664 HD23 ' N ' ' A' ' 15' ' ' VAL . 3.2 tt 59.85 154.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.871 HG22 ' HB2' ' A' ' 61' ' ' ALA . 86.2 t -133.96 155.67 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -125.38 110.12 13.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 110.313 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -107.61 126.43 52.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -126.93 115.43 19.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 111.007 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.44 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.48 99.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG12 ' HA ' ' A' ' 115' ' ' CYS . 17.2 m -122.61 158.47 26.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.092 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 113' ' ' PHE . 60.4 mt-30 -89.34 142.21 27.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.774 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -94.88 113.02 24.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.8 HD13 HG12 ' A' ' 112' ' ' VAL . 0.5 OUTLIER -79.63 -45.46 19.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.253 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.46 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 141.68 162.99 9.41 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.8 tmm? -91.44 133.59 35.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.72 128.5 21.72 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 158.74 41.97 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.45 HG21 HD13 ' A' ' 100' ' ' ILE . 29.8 m -142.68 152.89 17.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -81.57 -49.05 11.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 109.277 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -91.38 136.2 27.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -16.11 20.55 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.46 1.768 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 87' ' ' PHE . 8.1 m -133.89 167.63 25.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.55 126.16 3.69 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.535 1.147 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.2 mtp -71.52 -45.9 61.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 0.752 . . . . 0.0 111.045 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -46.05 -60.85 2.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.3 m -54.69 -37.97 66.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.376 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.3 tp -61.02 -66.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -49.72 -56.84 8.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.4 t -41.85 -45.08 3.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.04 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.475 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -57.76 -61.68 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 98' ' ' ALA . 95.7 mt -47.07 -66.92 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -38.06 -44.55 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.305 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -58.88 -57.72 11.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.483 HD12 HG21 ' A' ' 112' ' ' VAL . 14.8 mt -59.11 -45.82 89.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.57 -64.26 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 46.5 p -49.36 -50.29 40.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 91.3 p -65.28 129.62 40.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.55 1.156 . . . . 0.0 109.949 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 28.8 m 62.12 128.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 110.01 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 36.7 m -61.59 -179.18 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.457 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.2 tttm -71.78 -50.27 31.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -63.3 -38.3 90.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.296 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -49.23 -32.94 11.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.509 ' CE2' ' HG ' ' A' ' 23' ' ' LEU . 15.4 m0 -65.81 128.1 93.57 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 138.65 23.24 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.512 1.796 . . . . 0.0 111.01 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.51 102.14 5.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.979 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -110.7 172.54 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -116.17 143.67 45.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.356 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 25.3 tpp -107.14 104.32 13.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 28.0 t-20 -80.93 136.47 36.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.434 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 60.4 t -135.36 97.69 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.871 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -153.97 167.36 30.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.7 t0 41.0 37.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.875 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 51.59 52.85 13.81 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.51 HG23 ' HG2' ' A' ' 81' ' ' ARG . 54.3 m -143.52 153.33 42.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.414 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -120.6 100.5 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 49.6 m -115.32 122.92 47.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 110.402 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -85.01 100.9 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 75' ' ' GLU . 5.0 mt -94.17 147.95 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 44.6 t -70.24 159.43 34.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.44 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 6.3 tt0 -75.92 -50.64 14.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -89.16 45.92 1.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -177.67 163.62 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -126.08 -51.6 1.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.36 -13.14 61.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.434 ' O ' HG23 ' A' ' 68' ' ' ILE . 5.0 tt0 -80.65 110.54 16.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.567 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -110.09 92.83 2.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.5 mt -50.19 -58.69 5.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.774 HG21 ' OH ' ' A' ' 22' ' ' TYR . 6.1 t -128.42 144.0 39.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -126.27 104.17 8.06 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 110.311 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.41 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 99.1 m -117.11 146.22 43.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 108.287 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.51 ' HG2' HG23 ' A' ' 64' ' ' THR . 81.1 mtt180 -118.81 148.41 42.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 63' ' ' ALA . 13.2 m -70.94 -24.62 24.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 84' ' ' PHE . 1.6 ppt_? -74.67 -19.35 60.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.307 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.451 ' CE2' ' CZ ' ' A' ' 83' ' ' ARG . 1.6 m-85 -105.63 -7.1 18.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -67.41 147.63 52.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.3 m -115.17 -34.42 5.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 110.04 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.573 ' CE2' ' O ' ' A' ' 88' ' ' MET . 48.5 t80 -178.27 170.96 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 111.01 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.573 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.01 -149.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 111.027 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.43 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 131.93 150.19 6.53 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.509 1.131 . . . . 0.0 111.013 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 32.0 t -73.28 141.6 16.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 0.765 . . . . 0.0 109.315 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -72.03 -178.04 30.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 6.4 mmtt -41.85 -49.91 4.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -87.03 157.93 19.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' ALA . 21.2 m -82.98 -5.69 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.555 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.5 OUTLIER -102.08 17.23 23.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.578 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.5 p -126.37 131.35 51.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.369 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -135.94 136.16 40.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.478 ' HB3' HD11 ' A' ' 41' ' ' ILE . . . -149.84 144.68 26.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.851 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.1 p90 -143.57 146.7 33.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.79 ' O ' HD23 ' A' ' 85' ' ' LEU . 19.3 mt -94.79 128.61 45.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.312 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.696 ' SD ' HG22 ' A' ' 103' ' ' THR . 2.1 ppp? -120.04 165.88 14.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.25 106.88 13.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.696 HG22 ' SD ' ' A' ' 101' ' ' MET . 55.7 p -77.79 -58.31 3.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.369 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.414 ' O ' ' CB ' ' A' ' 105' ' ' ASN . . . -175.86 138.23 4.08 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.466 1.104 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' CB ' ' O ' ' A' ' 104' ' ' GLY . 1.8 t-20 75.97 -164.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -80.89 51.27 1.51 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.78 147.03 50.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -139.45 137.3 35.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 111.027 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -109.09 138.08 45.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 15.0 t -117.74 101.65 8.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.311 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 98' ' ' ALA . 65.6 m-70 -84.2 147.74 27.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.588 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.8 HG12 HD13 ' A' ' 23' ' ' LEU . 98.7 t -122.7 138.33 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' GLN . 85.2 m-85 -146.71 165.43 29.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 0.0 111.006 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.555 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 11.0 t-105 -119.17 114.58 22.66 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.401 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.9 m -107.59 151.24 25.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.257 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.522 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 26.3 mt-10 -139.98 151.04 64.31 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -74.99 -9.66 23.98 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.982 -0.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 6.1 p30 -153.71 154.66 34.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.55 37.59 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.94 -39.84 15.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -77.88 -40.05 41.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.421 ' O ' HG23 ' A' ' 126' ' ' VAL . 3.6 t -63.69 -63.93 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.2 t -48.87 -39.91 27.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -65.36 -56.71 11.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.39 -34.5 34.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 78.8 t -75.34 -49.69 26.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.4 ' C ' ' N ' ' A' ' 129' ' ' ALA . 3.8 mm-40 -59.8 -55.11 38.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.298 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -42.54 -29.17 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.57 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -78.22 -55.31 5.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 4.9 t -51.54 -60.86 2.67 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 108.257 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 39.87 84.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.041 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 52.59 -171.72 0.44 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -44.95 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.3 m -79.43 155.15 28.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.986 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -58.68 3.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 m 57.37 166.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 0.783 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -141.06 -58.08 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.021 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.72 -129.9 47.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.451 1.095 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 t 66.42 100.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 0.751 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 p -149.71 144.36 26.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.91 121.7 1.53 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.497 1.123 . . . . 0.0 111.045 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -179.95 5.47 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.445 1.761 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.1 p -131.03 116.18 16.75 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.371 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 179.0 6.52 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.77 149.99 46.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.329 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.6 t -167.38 129.86 1.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.332 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -70.85 64.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 62.34 128.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.678 HG12 ' HB2' ' A' ' 61' ' ' ALA . 1.7 m -75.46 162.94 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.165 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 6.7 mt-30 -103.52 109.19 20.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.509 1.131 . . . . 0.0 110.288 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HE3' ' CG2' ' A' ' 15' ' ' VAL . 17.7 mttt -105.7 125.75 51.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.424 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 80.0 m-85 -125.09 115.39 20.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.43 99.47 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.51 HG12 ' HA ' ' A' ' 115' ' ' CYS . 20.4 m -123.72 156.68 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.408 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 49.1 mt-30 -88.47 141.12 28.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.721 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -91.08 110.61 21.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.033 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.803 HD13 HG12 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -78.69 -46.64 18.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.248 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.425 ' O ' ' CD1' ' A' ' 44' ' ' LEU . . . 139.07 166.06 10.47 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.491 1.119 . . . . 0.0 111.051 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.469 ' CG ' ' HB3' ' A' ' 109' ' ' GLU . 17.3 tmm? -94.52 131.84 39.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 0.742 . . . . 0.0 110.976 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 tt -126.26 127.52 24.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.0 37.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.521 1.801 . . . . 0.0 111.015 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.16 171.04 16.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.42 -50.76 4.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -85.27 138.13 36.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.272 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.592 ' O ' HD12 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.0 -25.38 11.92 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.983 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.859 HG12 ' HB2' ' A' ' 87' ' ' PHE . 33.1 m -128.81 177.2 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.91 137.51 7.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.532 1.145 . . . . 0.0 110.925 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 99.8 mmm -82.12 -36.98 26.95 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.497 0.763 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -47.89 -65.1 0.62 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.4 m -57.8 -38.26 75.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.6 tp -53.46 -69.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -51.0 -57.26 9.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.94 -46.14 1.99 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.984 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -56.81 -53.48 57.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.423 HG12 HG13 ' A' ' 112' ' ' VAL . 60.7 mt -55.48 -67.19 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -38.45 -39.68 0.48 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 110.262 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -62.12 -59.52 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 47' ' ' SER . 12.4 mt -59.74 -44.43 93.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.02 -59.33 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.6 p -58.34 -33.89 70.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' LEU . 17.4 m -78.21 128.75 34.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.967 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 21.5 m 61.66 127.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 0.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.7 m -59.05 -178.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.049 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -72.6 -49.99 28.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -61.46 -34.39 75.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.06 -35.79 59.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.546 ' CZ2' HD21 ' A' ' 23' ' ' LEU . 16.1 m0 -65.17 124.96 88.31 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 139.56 24.41 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 111.01 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.29 102.28 5.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -110.68 173.99 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -119.56 141.22 49.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.577 ' SD ' HG22 ' A' ' 67' ' ' VAL . 5.4 tpp -107.52 101.75 11.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.554 ' ND2' HG21 ' A' ' 15' ' ' VAL . 42.9 t-20 -80.98 139.54 35.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 45.0 t -133.23 102.09 4.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.678 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -152.38 165.35 35.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 40.67 42.82 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.83 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 47.76 52.96 12.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 80' ' ' CYS . 23.2 m -144.88 156.15 43.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.41 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.6 t -120.74 103.67 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 58.2 m -113.62 119.02 36.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.44 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.577 HG22 ' SD ' ' A' ' 58' ' ' MET . 62.3 t -87.0 100.88 10.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.551 1.157 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 73' ' ' GLU . 6.9 mt -91.45 157.62 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 t -77.33 170.37 16.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -88.72 -44.0 10.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.49 -63.71 1.14 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.253 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -93.39 161.64 14.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.492 ' O ' HD13 ' A' ' 68' ' ' ILE . 3.6 mt-10 -113.59 -32.35 6.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -73.32 -22.75 60.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -63.47 158.89 19.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.439 1.087 . . . . 0.0 110.285 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.7 t -143.42 92.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.5 mt -56.87 -50.4 72.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.251 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.721 HG21 ' OH ' ' A' ' 22' ' ' TYR . 8.9 t -144.69 142.15 23.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -126.56 102.19 7.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.143 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.544 ' O ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -111.74 150.4 30.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.275 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -125.34 139.69 53.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.83 HG22 ' O ' ' A' ' 63' ' ' ALA . 16.9 m -59.06 -19.24 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.16 -27.83 38.93 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -100.99 1.18 39.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 111.038 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.81 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -78.89 153.73 30.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.145 . . . . 0.0 109.317 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.93 -39.66 3.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.859 ' HB2' HG12 ' A' ' 32' ' ' VAL . 76.1 t80 -178.19 174.08 1.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.48 ' HE3' HG12 ' A' ' 126' ' ' VAL . 21.3 ptp -170.23 -161.08 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 149.39 173.02 19.58 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.5 t -93.76 128.82 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.747 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.85 -179.0 2.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.493 1.121 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.4 mmtt -41.76 -45.16 3.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 0.757 . . . . 0.0 109.236 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -88.98 157.43 18.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 119' ' ' ALA . 33.7 m -83.92 -3.06 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.415 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 0.2 OUTLIER -105.07 17.2 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.565 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.1 p -125.45 125.6 43.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.492 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 48.2 t80 -133.99 128.11 33.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.015 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 111' ' ' HIS . . . -142.55 151.87 42.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.81 ' HB2' HD21 ' A' ' 85' ' ' LEU . 8.4 p90 -147.1 141.15 26.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.596 ' O ' HD23 ' A' ' 85' ' ' LEU . 18.0 mt -88.13 129.4 39.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.486 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 27.6 ptm -120.79 164.56 16.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.99 120.73 36.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 67.3 p -100.48 -45.93 5.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.377 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 105' ' ' ASN . . . 173.14 147.37 5.85 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.486 1.117 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 104' ' ' GLY . 3.3 m120 73.19 -170.59 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 0.745 . . . . 0.0 109.271 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -84.66 46.52 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.325 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -128.68 137.03 51.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -127.4 136.4 51.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.469 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 54.4 mt-10 -103.25 138.82 39.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 48.0 t -120.24 104.85 10.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 108.299 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.445 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 63.0 m-70 -84.3 143.34 29.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 109.594 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.803 HG12 HD13 ' A' ' 23' ' ' LEU . 60.5 t -117.79 139.8 43.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 91.9 m-85 -146.02 161.42 40.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 20.4 t-105 -113.88 110.94 20.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 108.051 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.51 ' HA ' HG12 ' A' ' 20' ' ' VAL . 6.5 m -104.57 147.43 27.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.274 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mt-10 -139.68 149.76 60.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.04 -17.36 20.17 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.938 -2.526 . . . . 0.0 111.038 -0.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 23.7 p30 -140.61 160.03 40.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.352 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.492 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -95.29 24.94 4.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -78.22 -45.82 22.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 48.1 m-20 -67.62 -44.8 77.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.445 ' O ' HG23 ' A' ' 126' ' ' VAL . 4.7 t -60.97 -66.65 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.8 t -45.64 -39.02 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.138 . . . . 0.0 110.02 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.85 -53.88 23.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -55.18 -28.45 53.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.48 HG12 ' HE3' ' A' ' 88' ' ' MET . 93.8 t -83.08 -53.97 10.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -57.07 -46.83 82.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.63 -33.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.159 . . . . 0.0 109.282 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.751 ' CB ' HG11 ' A' ' 82' ' ' VAL . . . -80.1 -49.01 12.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 48.8 t -53.45 -45.84 69.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 108.277 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 t -64.2 -50.59 67.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.015 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 97.12 -146.77 18.43 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 99.94 1.31 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.525 1.803 . . . . 0.0 111.021 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.97 160.99 13.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.005 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.4 m -101.55 130.49 47.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.549 1.155 . . . . 0.0 111.013 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -162.27 161.84 27.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.025 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -163.35 112.13 1.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.035 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.03 159.83 29.93 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -161.0 166.89 27.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 0.781 . . . . 0.0 110.032 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 p -173.6 133.82 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.77 153.48 25.37 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.51 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.418 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 72.8 p -123.75 133.76 24.84 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 110.385 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -75.03 71.16 5.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.53 1.805 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.1 mmtt -92.82 130.71 38.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.6 t -92.85 161.12 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 170.04 155.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -66.21 127.93 34.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.889 HG22 ' HB2' ' A' ' 61' ' ' ALA . 93.4 t -129.88 150.94 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -119.98 109.77 15.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -104.2 125.3 50.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.137 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.502 ' O ' HG13 ' A' ' 20' ' ' VAL . 56.9 m-85 -124.13 111.43 15.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.31 103.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.327 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.502 HG13 ' O ' ' A' ' 18' ' ' PHE . 4.1 m -130.75 161.63 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.422 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 47.9 mt-30 -89.25 152.71 21.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.666 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -103.74 101.59 11.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.786 HD13 HG12 ' A' ' 112' ' ' VAL . 1.0 OUTLIER -65.71 -45.33 83.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.361 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.541 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 145.38 161.1 8.92 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.463 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 28.8 ttp -97.17 107.05 19.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 111.003 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.575 HD23 ' O ' ' A' ' 27' ' ' PRO . 4.6 tt -108.77 127.64 26.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.575 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 163.55 35.09 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.441 1.759 . . . . 0.0 110.98 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.43 HG13 ' C ' ' A' ' 27' ' ' PRO . 34.5 m -153.42 142.92 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.57 -41.41 46.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.65 114.65 51.56 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.448 ' C ' HG13 ' A' ' 32' ' ' VAL . 18.3 Cg_endo -74.97 -2.25 12.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.448 HG13 ' C ' ' A' ' 31' ' ' PRO . 33.0 m -154.58 151.51 10.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 127.78 120.6 2.33 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.507 1.129 . . . . 0.0 110.963 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -41.78 93.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 0.773 . . . . 0.0 110.989 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -47.11 -67.12 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 m -49.1 -48.66 44.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 110.39 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 4.2 tp -45.69 -59.87 2.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.4 m-80 -58.31 -55.6 32.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 6.0 t -41.73 -40.44 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -61.98 -64.88 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.432 HG12 ' CG1' ' A' ' 112' ' ' VAL . 89.6 mt -48.07 -57.32 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -46.22 -36.36 6.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.317 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -64.57 -60.31 3.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.541 HD11 ' O ' ' A' ' 24' ' ' GLY . 13.5 mt -53.62 -47.36 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -64.44 0.75 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.958 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 43.1 p -74.76 56.73 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.408 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.76 -73.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.997 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.91 141.51 29.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 16.1 m -61.15 163.54 6.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.569 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 19.9 tttm -64.96 -46.82 79.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -72.02 -30.01 64.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.53 -21.0 8.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.569 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.0 m0 -76.61 127.15 84.97 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.122 . . . . 0.0 108.028 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 138.73 23.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.97 102.2 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.004 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.13 173.09 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -118.95 141.95 48.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.9 tpp -104.27 104.83 14.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -81.06 136.59 35.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 55.2 t -135.26 108.4 9.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -165.83 168.84 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.1 t70 40.45 33.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.89 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 54.23 54.34 9.68 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.401 ' N ' ' O ' ' A' ' 61' ' ' ALA . 51.9 m -145.7 153.36 40.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 80' ' ' CYS . 3.3 t -118.67 102.73 13.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 32.7 m -116.39 124.13 49.29 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.378 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.469 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 87.3 t -89.65 106.37 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.619 HG23 ' O ' ' A' ' 75' ' ' GLU . 16.2 mt -99.5 145.33 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -59.55 171.59 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -83.73 -46.1 12.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -99.47 64.02 1.3 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 170.32 171.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.3 mt-10 -133.73 -45.11 0.81 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.63 -9.57 58.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.619 ' O ' HG23 ' A' ' 68' ' ' ILE . 1.1 tt0 -84.91 110.33 18.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.463 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -111.26 99.35 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.8 mt -57.43 -53.16 61.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.666 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.6 t -131.33 148.42 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.324 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -133.23 101.45 5.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.282 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 65' ' ' VAL . 94.7 m -115.32 150.41 36.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.093 . . . . 0.0 108.327 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -121.22 136.31 54.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.89 HG22 ' O ' ' A' ' 63' ' ' ALA . 7.5 m -60.92 -19.33 19.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -21.46 44.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -103.04 -19.98 14.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.901 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.1 OUTLIER -49.0 174.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.417 ' H ' HD23 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -142.95 -46.04 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.988 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.511 ' CD1' ' N ' ' A' ' 88' ' ' MET . 19.2 t80 -167.52 167.25 13.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.511 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 21.0 ptp -167.32 -163.09 0.49 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.408 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 149.62 165.27 12.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.626 HG13 ' O ' ' A' ' 96' ' ' THR . 74.8 t -89.09 120.06 37.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -50.51 -177.25 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.48 1.112 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' GLY . 9.9 mmtt -39.88 -59.6 1.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 0.736 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.22 161.03 29.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 1.12 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 119' ' ' ALA . 35.2 m -85.8 -10.1 11.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.28 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.475 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -97.44 19.85 12.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 109.606 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.626 ' O ' HG13 ' A' ' 90' ' ' VAL . 12.0 p -126.6 139.02 53.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.415 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -145.86 145.57 30.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.453 ' HB2' HG22 ' A' ' 112' ' ' VAL . . . -164.08 149.69 10.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.901 ' HB2' HD21 ' A' ' 85' ' ' LEU . 16.3 p90 -145.58 143.67 30.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.135 . . . . 0.0 111.033 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.403 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 14.5 mt -89.22 127.17 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.581 ' SD ' HG22 ' A' ' 103' ' ' THR . 1.6 ppp? -110.97 165.94 11.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.977 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -121.78 102.48 8.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.581 HG22 ' SD ' ' A' ' 101' ' ' MET . 74.6 p -69.27 -53.52 19.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 110.378 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -177.18 -85.94 0.06 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -56.43 -164.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -78.74 52.45 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.25 140.46 51.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 110.262 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.403 ' HB3' ' CG2' ' A' ' 100' ' ' ILE . 38.0 m-85 -136.03 134.58 38.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.463 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 27.7 mt-10 -115.71 127.56 55.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 t -107.0 103.39 12.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 39.9 m-70 -83.91 110.18 18.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.616 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.786 HG12 HD13 ' A' ' 23' ' ' LEU . 98.6 t -89.22 142.98 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 79.7 m-85 -146.66 161.93 39.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.475 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 5.2 t-105 -115.73 114.06 24.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 108.017 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.2 m -109.79 148.31 31.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 0.0 108.309 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.539 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.2 mt-10 -131.2 145.22 56.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.295 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.01 -37.28 2.29 Favored 'Cis proline' 0 C--N 1.36 1.164 0 C-N-CA 121.029 -2.488 . . . . 0.0 111.009 0.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -126.84 154.65 44.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -87.81 43.82 1.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -91.08 -41.17 11.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -77.48 -38.44 49.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.79 -63.25 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 t -49.13 -36.28 18.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.005 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -68.59 -58.49 4.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.281 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.16 -29.55 2.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.537 1.148 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 76.4 t -81.67 -47.23 19.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -60.22 -58.17 9.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.98 -27.37 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 126' ' ' VAL . . . -75.32 -48.86 21.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 43.7 t -66.35 -56.99 8.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 108.275 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 t -44.59 -62.48 1.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.999 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 175.91 123.71 0.78 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.554 1.159 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 70.33 5.37 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.471 1.774 . . . . 0.0 110.956 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.16 163.57 32.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.011 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.5 m -73.59 159.97 32.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.004 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.5 123.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 0.77 . . . . 0.0 109.973 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.41 -59.7 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.968 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.64 172.1 30.54 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 110.957 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -103.41 160.36 14.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 0.0 110.022 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.39 166.42 1.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.442 1.089 . . . . 0.0 109.944 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.67 149.12 21.1 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -176.22 2.76 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 65.6 p -129.51 157.59 75.92 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.425 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 152.02 40.47 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' O ' ' O ' ' A' ' 12' ' ' THR . 21.1 mttt -166.28 175.74 8.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 11' ' ' LYS . 71.5 p 39.84 -160.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.155 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.89 134.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 14' ' ' LEU . 2.5 mm? -64.93 132.27 48.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.902 HG22 ' HB2' ' A' ' 61' ' ' ALA . 72.4 t -134.11 151.45 32.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.336 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.62 110.5 13.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.288 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -105.08 124.45 49.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -123.92 115.3 21.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 99.39 0.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.5 m -125.59 157.06 35.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 109.272 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.428 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 50.7 mt-30 -88.42 144.46 26.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.797 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -95.34 101.45 13.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.798 HD13 HG12 ' A' ' 112' ' ' VAL . 0.7 OUTLIER -65.04 -48.52 73.52 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.75 176.53 22.19 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.51 1.132 . . . . 0.0 111.036 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.403 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 24.9 ttp -110.62 110.17 20.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 0.775 . . . . 0.0 111.004 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.404 HD13 ' HB3' ' A' ' 43' ' ' ASN . 3.1 tt -110.52 127.39 27.07 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.28 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.6 36.88 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 110.998 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 16.5 m -139.79 141.49 34.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.36 -45.24 40.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.38 115.08 46.28 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.291 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -4.24 15.11 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.8 m -149.97 145.5 17.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.59 141.73 4.71 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.1 mtp -82.61 -40.51 20.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 0.757 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -48.48 -65.52 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -51.8 -46.06 64.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.417 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.45 HD11 ' O ' ' A' ' 98' ' ' ALA . 2.8 tp -49.97 -65.58 0.54 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.42 ' HA ' HD12 ' A' ' 41' ' ' ILE . 36.9 m-80 -52.95 -52.25 58.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -44.52 3.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.27 -49.01 79.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.459 HD13 ' HA3' ' A' ' 91' ' ' GLY . 69.9 mt -54.84 -63.35 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -46.88 -37.09 8.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.341 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.404 ' HB3' HD13 ' A' ' 26' ' ' LEU . 3.3 t-20 -64.74 -55.84 17.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 44' ' ' LEU . 9.7 mt -60.64 -38.57 85.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -54.66 7.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 p -70.15 -43.64 70.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.157 . . . . 0.0 110.401 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.1 m -39.17 -85.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.99 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.0 m -95.01 155.09 16.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.013 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.449 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 17.4 m -71.81 174.11 7.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.05 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.586 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 2.1 tttt -66.69 -53.73 30.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.57 -34.99 79.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.12 -24.79 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.586 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 8.4 m0 -74.37 124.07 89.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 108.016 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.17 24.09 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.469 1.773 . . . . 0.0 111.028 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.97 102.39 4.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.023 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.7 m -112.2 173.45 2.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' ND2' ' HA ' ' A' ' 70' ' ' GLU . 69.9 m-20 -117.13 143.54 45.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.266 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 11.3 tpp -106.01 103.88 13.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -80.9 135.3 35.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 67.5 t -135.01 103.49 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.902 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -157.86 163.74 37.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.3 t0 41.17 41.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.78 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 49.36 53.41 12.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.538 HG23 ' HG3' ' A' ' 81' ' ' ARG . 53.3 m -142.8 153.44 43.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.8 t -123.08 100.01 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 92.2 m -113.59 126.4 55.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 110.412 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -88.07 101.87 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 75' ' ' GLU . 6.9 mt -96.23 149.22 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.7 t -71.4 165.79 23.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.41 ' HA ' ' ND2' ' A' ' 57' ' ' ASN . 13.8 tt0 -82.41 -49.3 10.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 110.344 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt -87.72 47.82 1.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.161 . . . . 0.0 109.264 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 176.19 168.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -128.46 -48.56 1.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.86 -15.64 62.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.2 tt0 -78.25 108.81 11.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.536 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -108.1 94.18 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.9 mt -50.84 -49.55 58.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.797 HG21 ' OH ' ' A' ' 22' ' ' TYR . 9.9 t -138.0 147.93 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -128.91 104.83 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.505 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 62.9 m -119.95 144.27 47.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 108.273 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.538 ' HG3' HG23 ' A' ' 64' ' ' THR . 18.6 mtt-85 -120.42 145.2 47.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.78 HG22 ' O ' ' A' ' 63' ' ' ALA . 5.2 m -63.64 -25.13 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.607 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.2 OUTLIER -73.9 -14.88 61.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 110.257 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.607 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 2.3 m-85 -111.02 -3.7 15.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -72.22 144.05 48.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 43.2 m -114.08 -30.72 6.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 110.016 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 88' ' ' MET . 30.0 t80 -178.2 168.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.555 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -165.47 -149.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 125.67 158.42 9.95 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 51.1 t -77.99 138.03 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 109.319 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.459 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -76.13 -167.48 24.38 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.446 1.091 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -41.45 -68.83 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.564 0.802 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.3 OUTLIER -74.23 150.94 40.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 119' ' ' ALA . 33.3 m -80.23 -1.78 4.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.562 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 1.4 m80 -101.16 22.18 12.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.57 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 19.4 p -134.3 137.85 44.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.426 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.627 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 38.6 t80 -140.01 118.73 12.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.485 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -130.13 140.42 50.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.163 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.849 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.1 p90 -135.75 138.39 42.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.615 ' O ' HD23 ' A' ' 85' ' ' LEU . 39.1 mt -88.09 127.42 41.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.505 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 23.0 ptm -110.66 156.35 21.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -122.99 101.84 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.1 p -69.41 -42.7 74.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.444 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 164.87 -76.18 0.15 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -55.05 -169.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 0.755 . . . . 0.0 109.276 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -80.28 52.56 1.61 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.409 1.068 . . . . 0.0 110.304 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.42 140.27 51.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.3 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -138.75 119.3 13.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.403 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 4.4 mt-10 -105.22 131.94 52.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.485 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 9.0 t -109.26 104.29 13.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.572 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 79.6 m-70 -84.12 111.78 19.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.566 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.798 HG12 HD13 ' A' ' 23' ' ' LEU . 92.5 t -90.86 143.88 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.572 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.6 m-85 -146.81 165.17 30.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 111.012 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.562 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 23.4 t-105 -117.4 115.15 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 107.967 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.1 m -114.16 140.32 48.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 108.309 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.525 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.1 mp0 -126.55 149.25 67.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.5 Cg_endo -74.89 -22.63 13.61 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.067 -0.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 11.9 p30 -137.48 157.59 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.352 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.627 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -91.78 35.88 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.495 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -85.85 -51.5 6.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.55 -48.34 82.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.632 ' O ' HG23 ' A' ' 126' ' ' VAL . 9.2 t -61.85 -60.5 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.255 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 34.3 t -54.17 -26.4 27.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 2.9 mm-40 -80.47 -39.07 28.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.482 ' O ' ' HB2' ' A' ' 129' ' ' ALA . . . -70.15 -12.74 61.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.643 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 83.0 t -93.79 -56.71 4.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.483 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 18.2 pt20 -55.22 -48.55 73.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 110.357 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.483 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -67.07 -10.38 49.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 126' ' ' VAL . . . -86.01 -50.22 7.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.441 ' HA ' ' CG2' ' A' ' 82' ' ' VAL . 7.8 t -62.93 -53.11 59.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.284 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.45 -62.33 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.087 . . . . 0.0 109.99 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -45.08 154.44 0.46 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.485 1.115 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.96 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.463 1.77 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 81.6 p -157.76 124.43 4.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.036 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 52.57 82.82 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 110.011 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 O-C-N 124.461 1.101 . . . . 0.0 110.984 -179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 m 66.83 138.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 110.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -102.42 154.19 19.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.965 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.51 132.89 18.84 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.547 1.154 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.17 -57.65 2.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 0.764 . . . . 0.0 109.965 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t 179.8 155.14 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.37 164.0 25.39 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 109.13 2.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 41.2 p -121.03 91.79 48.12 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 104.8 1.96 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.483 1.781 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -176.26 69.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.236 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 t -145.39 23.56 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 69.16 169.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.39 148.3 5.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.914 HG22 ' CB ' ' A' ' 61' ' ' ALA . 75.5 t -128.93 153.6 38.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -124.5 109.77 13.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -105.31 123.9 48.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.533 ' CG ' HG22 ' A' ' 122' ' ' VAL . 64.9 m-85 -123.98 118.11 26.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.114 . . . . 0.0 110.941 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.9 107.83 2.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 110.304 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 56' ' ' VAL . 6.4 m -133.82 157.36 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 67.0 mt-30 -88.39 149.9 23.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.678 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -100.67 101.92 12.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 111.028 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.78 HD13 HG12 ' A' ' 112' ' ' VAL . 1.3 mp -66.72 -41.94 87.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.499 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 134.1 162.53 10.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.475 1.109 . . . . 0.0 111.047 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.2 tmm? -88.53 133.5 34.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 0.753 . . . . 0.0 110.989 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 27' ' ' PRO . 4.2 tt -131.5 127.54 21.61 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.4 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.01 151.12 39.09 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.45 ' HB ' ' CG2' ' A' ' 36' ' ' THR . 26.7 m -138.17 169.21 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.44 -55.51 3.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -89.74 134.6 31.88 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.745 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.01 -7.76 19.45 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.502 1.791 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.772 HG12 ' HB2' ' A' ' 87' ' ' PHE . 19.9 m -136.39 -179.7 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.11 140.32 11.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 110.997 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.431 ' O ' ' N ' ' A' ' 37' ' ' LEU . 99.6 mmm -78.94 -45.91 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -40.97 -57.3 2.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.45 ' CG2' ' HB ' ' A' ' 28' ' ' VAL . 8.5 m -63.47 -33.29 75.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 110.366 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 34' ' ' MET . 3.3 tp -61.79 -71.07 0.16 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -51.45 -52.45 46.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.0 t -41.86 -49.72 4.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.569 1.168 . . . . 0.0 110.036 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.23 -58.36 8.57 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.31 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.543 HG12 HG22 ' A' ' 112' ' ' VAL . 81.8 mt -51.11 -65.08 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.648 ' O ' HG22 ' A' ' 46' ' ' THR . 14.5 mt-10 -38.58 -36.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -61.88 -65.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.499 HD11 ' O ' ' A' ' 24' ' ' GLY . 11.4 mt -49.67 -39.54 36.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -61.01 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 111.029 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.648 HG22 ' O ' ' A' ' 42' ' ' GLU . 5.8 t -80.68 64.88 5.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.44 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 t -171.35 -60.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.0 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.2 m -102.02 147.74 26.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.983 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 m -73.55 162.32 29.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.974 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 4.4 tttt -64.68 -52.0 59.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -63.56 -30.62 71.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.86 -19.3 11.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.593 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 8.4 m0 -82.65 126.05 74.34 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 108.014 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 137.4 21.46 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.513 1.796 . . . . 0.0 110.983 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.57 102.57 3.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 20' ' ' VAL . 4.8 m -111.61 175.58 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -121.16 143.26 49.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 12.3 tpp -105.35 104.39 14.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.025 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -82.42 135.02 35.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.3 t -133.09 111.3 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.914 ' CB ' HG22 ' A' ' 15' ' ' VAL . . . -167.74 169.5 11.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 t0 39.84 34.48 0.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.326 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.658 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.61 55.67 8.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.65 HG23 ' O ' ' A' ' 80' ' ' CYS . 37.6 m -148.25 154.66 40.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.416 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.439 ' O ' HG12 ' A' ' 65' ' ' VAL . 3.0 t -119.46 99.89 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.447 ' CG2' HG23 ' A' ' 76' ' ' VAL . 43.3 m -111.74 120.28 41.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 110.379 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.419 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 77.3 t -85.54 101.58 10.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 9.2 mt -94.73 151.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.2 t -65.27 168.22 7.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -87.87 -48.25 7.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -90.03 50.91 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.16 146.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.325 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -123.47 70.18 1.04 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.42 1.075 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 76' ' ' VAL . 2.7 pt-20 178.11 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.278 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' N ' ' HG3' ' A' ' 74' ' ' GLU . 7.8 tt0 -67.1 68.16 0.07 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.447 HG23 ' CG2' ' A' ' 66' ' ' THR . 0.9 OUTLIER -56.03 109.89 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.3 mt -71.66 -48.29 48.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.678 HG21 ' OH ' ' A' ' 22' ' ' TYR . 9.5 t -142.27 141.85 28.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -123.68 114.99 20.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.263 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.65 ' O ' HG23 ' A' ' 64' ' ' THR . 10.8 t -119.39 148.05 43.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.114 . . . . 0.0 108.301 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.7 mtm180 -121.26 132.43 54.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.658 HG21 ' HB1' ' A' ' 63' ' ' ALA . 4.4 m -57.89 -20.67 15.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.1 -27.78 42.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -97.34 -23.63 16.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.835 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -47.57 161.66 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.7 -43.31 1.87 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.031 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.772 ' HB2' HG12 ' A' ' 32' ' ' VAL . 65.1 t80 -176.57 174.14 1.92 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.039 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.601 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 22.9 ptp -168.92 -159.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 150.15 155.54 6.88 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 12.8 t -82.66 118.43 30.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.523 0.778 . . . . 0.0 109.31 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' LYS . . . -49.66 178.79 0.02 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' GLY . 28.4 mttt -40.37 -52.01 2.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.406 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.5 OUTLIER -82.96 159.16 22.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 24.9 m -84.27 -11.83 11.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.428 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.1 OUTLIER -94.38 15.42 17.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.607 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.406 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 11.8 p -124.03 143.94 50.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.123 . . . . 0.0 110.388 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.475 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 59.0 t80 -154.1 145.78 23.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.429 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -164.13 151.2 11.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.835 ' HB2' HD21 ' A' ' 85' ' ' LEU . 16.4 p90 -145.67 144.7 30.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 110.968 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.745 HG21 ' HA ' ' A' ' 31' ' ' PRO . 18.0 mt -88.53 126.37 41.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.416 ' O ' ' HA ' ' A' ' 108' ' ' PHE . 27.1 ptm -131.53 163.08 28.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -102.03 143.16 32.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.108 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.8 p -139.4 17.6 2.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.153 . . . . 0.0 110.415 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -178.58 -145.15 5.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -101.43 122.12 43.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 0.777 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 54.76 18.38 2.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.279 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.48 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 10.8 mmt180 -104.26 143.01 33.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 107' ' ' ARG . 15.1 m-85 -139.16 134.13 32.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -124.01 137.54 54.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.137 . . . . 0.0 110.319 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 11.7 t -111.86 118.81 36.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 108.313 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 79.5 m-70 -99.13 110.42 23.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.586 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.78 HG12 HD13 ' A' ' 23' ' ' LEU . 71.3 t -87.09 142.42 13.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 90.9 m-85 -146.78 167.48 23.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.41 ' HA ' ' O ' ' A' ' 95' ' ' HIS . 5.1 t-105 -125.91 115.31 19.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 107.998 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.612 ' SG ' HG11 ' A' ' 122' ' ' VAL . 2.8 m -108.78 159.33 16.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.455 1.097 . . . . 0.0 108.339 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mt-10 -143.92 146.56 34.82 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -13.09 23.76 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.998 -0.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.409 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 2.4 p30 -150.39 155.47 39.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -92.29 26.05 2.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -63.95 -60.5 3.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -67.33 -41.46 85.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.612 HG11 ' SG ' ' A' ' 115' ' ' CYS . 25.0 t -58.13 -32.54 44.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 17.7 t -87.38 -35.39 18.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.514 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 3.2 pt-20 -69.77 -47.01 64.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 110.27 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.514 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -57.01 -36.26 70.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.16 . . . . 0.0 109.33 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 122' ' ' VAL . 76.6 t -75.55 -48.24 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 130' ' ' CYS . 5.4 mm-40 -59.76 -53.57 56.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -41.64 -33.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.482 ' CB ' HG11 ' A' ' 82' ' ' VAL . . . -76.01 -49.59 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.424 ' N ' ' O ' ' A' ' 127' ' ' GLN . 36.2 t -53.52 -58.16 8.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 0.0 108.29 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.6 p 40.92 91.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.985 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -160.01 -82.31 0.04 OUTLIER Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 59.04 5.03 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.471 1.774 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 53.2 p -87.41 -61.08 1.8 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 9.0 t -77.31 138.51 39.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 109.95 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 O-C-N 124.482 1.114 . . . . 0.0 110.939 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.06 138.59 20.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.554 0.796 . . . . 0.0 110.017 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -119.35 154.37 33.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.62 -163.94 0.02 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.5 t -111.73 108.99 18.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 0.747 . . . . 0.0 110.007 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -46.88 136.15 8.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.6 171.19 34.29 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 p -84.82 150.73 56.65 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 177.56 8.41 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -130.56 56.35 1.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 24.2 p -114.7 138.35 50.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.373 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 59.2 153.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.03 154.15 42.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.615 HG22 ' HB2' ' A' ' 61' ' ' ALA . 69.0 t -128.29 144.43 37.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.25 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -112.74 109.25 18.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -108.98 125.99 52.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.513 ' O ' HG13 ' A' ' 20' ' ' VAL . 69.2 m-85 -128.81 118.65 23.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.19 102.19 0.62 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 18' ' ' PHE . 5.8 m -124.21 156.35 31.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.427 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 49.1 mt-30 -90.13 146.66 24.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -99.4 112.91 25.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.879 HD13 HG12 ' A' ' 112' ' ' VAL . 2.3 mp -77.94 -43.83 28.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.323 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.635 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 137.05 160.14 8.51 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.536 1.148 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.401 ' C ' ' SD ' ' A' ' 25' ' ' MET . 13.9 tmm? -87.99 131.83 34.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 tt -127.64 127.64 24.02 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.21 34.99 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.786 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.58 171.94 15.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -93.56 -60.7 1.71 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.28 133.86 77.5 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.469 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.2 Cg_endo -74.97 -12.08 21.55 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.514 1.797 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.943 HG12 ' HB2' ' A' ' 87' ' ' PHE . 15.9 m -137.4 -171.4 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.37 156.8 27.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.488 1.118 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.482 ' HE2' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -98.71 -45.92 5.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 0.749 . . . . 0.0 110.996 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.6 -59.7 2.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 m -54.99 -42.65 72.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.482 HD22 ' HE2' ' A' ' 34' ' ' MET . 5.0 tp -52.98 -68.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 37.2 m-80 -52.71 -45.51 66.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -46.38 -41.89 14.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.962 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.48 -59.12 4.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.4 mt -47.08 -57.3 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 46' ' ' THR . 7.0 mt-10 -44.99 -44.2 9.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -59.29 -59.18 5.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.635 HD11 ' O ' ' A' ' 24' ' ' GLY . 12.8 mt -54.36 -43.79 71.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -60.48 3.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 42' ' ' GLU . 5.6 t -78.09 60.61 2.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.65 -67.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.968 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 45.8 m -100.26 153.82 18.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.013 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.44 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 5.7 m -73.51 173.44 9.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 0.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.599 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 18.0 tttm -73.82 -51.11 17.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -64.04 -36.4 83.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.319 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -48.98 -24.17 1.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.599 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.1 m0 -75.94 125.23 88.4 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.15 19.97 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.26 102.3 3.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.0 m -111.48 167.3 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -111.71 138.79 47.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 17.0 tpp -101.55 103.73 14.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 24.0 t-20 -80.71 137.81 36.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.514 HG11 ' O ' ' A' ' 125' ' ' ALA . 73.3 t -135.48 114.29 16.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.615 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -172.46 169.97 5.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t0 40.14 37.91 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.84 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 50.42 51.42 16.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.357 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 80' ' ' CYS . 51.8 m -145.46 154.25 42.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.115 . . . . 0.0 110.379 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.425 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.6 t -121.37 102.54 12.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 0.0 109.333 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 90.8 m -111.18 129.63 55.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -92.45 104.58 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.281 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 11.8 mt -100.13 153.31 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -68.17 173.27 4.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 110.029 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -79.86 -42.38 24.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.145 . . . . 0.0 110.347 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.5 -87.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -50.99 149.99 3.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -109.18 -18.65 13.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -92.4 -17.4 24.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -73.79 105.12 4.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -103.58 98.54 6.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.277 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.05 -52.14 66.75 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.0 t -134.34 148.62 29.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 109.295 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -134.34 96.82 3.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.436 ' O ' HG23 ' A' ' 64' ' ' THR . 0.1 OUTLIER -104.87 150.41 24.87 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 108.286 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 63.2 mtt-85 -122.58 133.85 54.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 63' ' ' ALA . 4.4 m -59.44 -16.24 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 -21.12 34.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -106.36 -9.88 16.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.994 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.851 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -63.23 165.88 6.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.61 -43.6 1.4 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.943 ' HB2' HG12 ' A' ' 32' ' ' VAL . 56.9 t80 -173.48 172.82 3.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.593 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 16.8 ptp -169.9 -159.09 0.19 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 145.24 165.25 11.13 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.511 1.132 . . . . 0.0 111.036 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 96' ' ' THR . 85.2 t -85.34 124.36 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.17 -175.08 0.12 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.493 1.121 . . . . 0.0 111.028 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 70.7 mttt -43.6 -51.73 6.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 0.76 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.82 161.52 23.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 119' ' ' ALA . 22.8 m -85.2 -12.58 11.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.558 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -97.2 20.46 11.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 90' ' ' VAL . 1.9 p -126.03 135.9 52.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 110.4 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.452 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 54.7 t80 -145.69 134.12 21.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 111' ' ' HIS . . . -152.04 156.1 39.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.851 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.2 p90 -148.22 149.22 31.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.469 HG21 ' HA ' ' A' ' 31' ' ' PRO . 40.1 mt -92.45 126.8 44.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.4 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 24.8 ptm -115.74 165.04 13.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.23 121.14 34.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 44.8 p -107.45 -2.05 20.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 110.419 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 125.88 158.74 10.04 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 61.46 -175.34 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 109.273 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -81.47 49.13 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 110.33 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.78 142.0 51.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -138.31 133.39 32.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -106.1 137.11 44.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.161 . . . . 0.0 110.283 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 51.0 t -115.08 110.2 19.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 108.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 60.7 m-70 -91.38 119.09 31.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.574 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.879 HG12 HD13 ' A' ' 23' ' ' LEU . 74.2 t -95.84 143.41 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 84.2 m-85 -146.67 167.79 22.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 110.967 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.558 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 17.8 t-105 -122.38 116.68 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 5.3 m -112.74 139.22 48.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 108.333 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.9 mp0 -124.02 143.16 41.63 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 110.325 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.98 -42.24 0.86 Allowed 'Cis proline' 0 C--N 1.36 1.147 0 C-N-CA 121.009 -2.496 . . . . 0.0 111.002 -0.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 1.7 p30 -120.33 157.29 29.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -89.59 38.36 0.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.497 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -83.78 -56.16 3.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -58.62 -50.0 75.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.438 ' O ' HG23 ' A' ' 126' ' ' VAL . 34.8 t -58.61 -69.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 119' ' ' ALA . 23.0 t -45.99 -25.23 0.52 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 7.4 mm-40 -81.37 -43.59 18.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 110.313 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.514 ' O ' HG11 ' A' ' 60' ' ' VAL . . . -67.3 -12.53 60.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.609 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 63.5 t -96.07 -54.19 7.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.505 ' CG ' ' N ' ' A' ' 128' ' ' ALA . 15.8 pt20 -54.97 -48.91 72.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.505 ' N ' ' CG ' ' A' ' 127' ' ' GLN . . . -65.78 -12.38 53.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.609 ' HB3' ' O ' ' A' ' 126' ' ' VAL . . . -86.44 -26.16 24.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.284 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 40.7 t -80.71 -50.65 9.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.113 . . . . 0.0 108.272 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -51.07 63.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 112.87 -157.33 15.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 150.57 38.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.537 1.809 . . . . 0.0 111.041 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.2 t 60.0 89.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 90.2 p -127.85 145.31 50.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 110.975 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.034 -0.827 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -147.19 97.37 2.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 109.94 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.81 -56.47 2.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 110.019 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.32 135.13 5.5 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 p -156.9 131.96 9.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 0.785 . . . . 0.0 109.975 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -111.05 149.42 30.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.998 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.19 70.81 0.18 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 116.16 4.5 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -139.76 145.5 43.32 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 145.38 31.51 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.499 1.789 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.24 139.11 39.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 0.0 109.358 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.1 m -155.52 65.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -149.51 122.14 8.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.57 129.14 40.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.173 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.891 ' HB ' ' HB2' ' A' ' 61' ' ' ALA . 0.1 OUTLIER -114.65 163.24 12.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 8.1 mt-30 -127.73 113.76 16.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.0 mttt -93.98 120.77 34.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.51 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 95.9 m-85 -119.58 127.83 53.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.08 102.32 12.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.591 HG12 ' HA ' ' A' ' 115' ' ' CYS . 29.5 m -124.74 163.73 24.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.424 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 36.6 mt-30 -91.94 145.24 24.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 110.302 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.507 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -96.08 100.99 12.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.11 . . . . 0.0 111.016 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.786 HD13 HG12 ' A' ' 112' ' ' VAL . 1.1 mp -63.12 -48.45 78.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 147.27 162.1 9.79 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.449 1.093 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.536 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 18.6 ttp -94.58 115.85 28.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 0.738 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 27' ' ' PRO . 4.0 tt -116.61 127.32 26.83 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.444 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.02 157.0 42.95 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.462 1.769 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 30.9 m -138.4 -176.89 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -107.72 -59.33 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.274 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -82.08 136.57 46.89 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.1 Cg_endo -75.03 -19.21 17.99 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.55 1.816 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.3 m -130.3 166.46 27.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.91 139.29 6.2 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 110.982 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -44.57 13.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 0.752 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -46.85 -62.64 1.3 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.1 m -52.08 -42.56 63.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.369 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -55.37 -64.64 0.78 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -49.5 -57.01 7.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.267 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -40.3 -48.69 2.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.55 -58.55 7.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 55.1 mt -48.37 -69.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.27 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.555 ' O ' HG22 ' A' ' 46' ' ' THR . 10.8 mt-10 -40.39 -40.38 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -53.92 -61.16 2.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.143 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.477 HD12 HG21 ' A' ' 112' ' ' VAL . 13.5 mt -52.49 -60.26 3.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -39.37 -64.25 0.48 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 46' ' ' THR . 14.6 t -73.26 58.95 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.89 -64.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.967 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.98 153.36 17.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.997 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.457 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 19.9 m -73.22 171.94 12.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.564 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 5.9 tttt -76.16 -53.55 8.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -62.58 -31.82 72.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.29 -22.13 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.564 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 8.3 m0 -78.37 123.4 85.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 108.027 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.07 22.6 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.564 1.823 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.54 101.89 3.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' VAL . 16.1 m -110.5 169.15 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.403 ' O ' ' HA ' ' A' ' 67' ' ' VAL . 60.1 m-20 -116.51 141.36 48.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.1 tpp -105.2 102.05 11.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.42 ' OD1' HG21 ' A' ' 15' ' ' VAL . 20.0 t-20 -86.1 124.99 33.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.11 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 48.1 t -118.86 95.23 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.891 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . . . -142.14 166.67 24.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' ALA . 2.3 t70 37.82 44.91 0.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.904 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 45.97 52.1 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 80' ' ' CYS . 34.7 m -144.96 154.98 43.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 110.377 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 80' ' ' CYS . 4.0 t -118.08 103.31 14.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.6 m -113.76 117.51 31.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.403 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 44.5 t -84.55 107.97 16.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.7 mt -102.63 152.64 5.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.2 t -65.87 169.96 5.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.558 1.161 . . . . 0.0 109.99 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -76.79 -33.5 58.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -88.18 -93.45 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -44.89 151.28 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -108.85 -13.52 14.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -98.27 -20.44 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.298 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.33 101.39 1.51 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.505 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -99.47 93.56 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 mt -52.59 -49.58 64.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.507 HG21 ' OH ' ' A' ' 22' ' ' TYR . 9.6 t -137.02 146.42 28.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -130.11 94.91 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.476 ' O ' HG23 ' A' ' 64' ' ' THR . 68.9 m -103.61 149.91 24.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 108.261 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -124.48 135.81 53.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.904 HG22 ' O ' ' A' ' 63' ' ' ALA . 6.4 m -61.15 -16.89 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -82.28 -17.86 44.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -111.81 -2.68 15.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.973 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.844 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -67.05 162.21 22.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 70.7 m -126.58 -42.32 1.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.53 ' CD1' ' N ' ' A' ' 88' ' ' MET . 42.0 t80 -175.23 172.46 2.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.53 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 18.2 ptp -171.33 -161.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.19 -170.49 28.04 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.478 1.111 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 96' ' ' THR . 65.3 t -122.62 114.26 41.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -57.53 -162.03 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -40.91 -88.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.2 OUTLIER -50.82 144.66 8.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.419 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 29.3 m -83.59 3.92 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.2 m80 -103.37 19.25 20.05 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.58 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.59 ' O ' HG13 ' A' ' 90' ' ' VAL . 16.6 p -126.7 136.74 52.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.434 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.459 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 50.3 t80 -143.52 130.5 20.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.703 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -149.01 148.91 30.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.844 ' HB2' HD21 ' A' ' 85' ' ' LEU . 39.9 p90 -142.24 143.37 32.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.133 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.436 HG21 ' HA ' ' A' ' 31' ' ' PRO . 36.4 mt -89.21 117.69 33.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.417 ' SD ' ' NE2' ' A' ' 111' ' ' HIS . 26.8 ptm -107.86 165.3 11.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -114.88 130.66 56.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.5 p -118.76 -55.55 2.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 1.159 . . . . 0.0 110.344 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -123.9 -152.87 8.52 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.543 1.152 . . . . 0.0 110.999 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 -81.36 128.14 33.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.256 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 49.0 22.49 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 110.299 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.41 131.13 55.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.308 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.417 ' HA ' ' O ' ' A' ' 101' ' ' MET . 26.7 m-85 -140.03 152.1 45.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -137.91 121.5 17.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.703 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 47.5 t -95.71 108.19 20.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 108.275 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 68.3 m-70 -89.1 103.83 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.565 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.786 HG12 HD13 ' A' ' 23' ' ' LEU . 93.4 t -81.81 141.76 14.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.574 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.0 m-85 -145.94 167.2 23.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 111.011 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 12.7 t-105 -119.69 112.72 19.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 107.981 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.591 ' HA ' HG12 ' A' ' 20' ' ' VAL . 4.1 m -106.38 144.74 32.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 108.31 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.524 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.3 mp0 -132.19 147.37 65.52 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.566 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.3 Cg_endo -75.05 -12.93 24.01 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 120.989 -2.504 . . . . 0.0 111.024 0.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 118' ' ' ASN . 0.0 OUTLIER -150.96 157.68 43.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.459 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -88.94 41.69 1.04 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.91 -44.66 9.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.428 1.08 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -76.4 -43.28 41.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.473 HG11 ' SG ' ' A' ' 115' ' ' CYS . 2.5 t -59.87 -62.11 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 27.6 t -50.07 -40.08 44.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.28 -56.1 11.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -47.85 -37.99 15.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.57 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 88.0 t -72.74 -48.12 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -58.01 -51.96 67.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.55 -27.31 4.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -75.24 -49.4 19.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 18.4 t -60.47 -60.36 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 108.326 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -49.7 -50.83 42.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 102.37 153.58 24.99 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.961 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 118.85 5.42 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 m 62.24 115.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.005 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 1.5 m 56.12 -94.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.006 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.48 1.113 . . . . 0.0 111.032 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -154.76 141.97 19.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 0.797 . . . . 0.0 109.977 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.15 -54.79 2.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 110.037 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.46 -145.45 44.08 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 74.53 -62.65 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 110.028 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.16 139.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.002 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.4 88.58 0.13 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.032 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -64.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.545 1.813 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 47.0 p 44.87 88.86 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -21.46 15.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HG2' HG23 ' A' ' 15' ' ' VAL . 1.9 mtpp 62.73 130.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 t -113.49 -14.94 12.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 110.371 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -164.77 47.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.78 -171.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.738 HG22 ' HB2' ' A' ' 61' ' ' ALA . 92.3 t -133.61 140.8 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.357 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -112.81 109.4 18.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -109.57 122.3 47.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -122.52 117.23 25.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -65.17 106.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.334 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.7 m -131.59 159.39 43.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.276 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.1 mt-30 -88.76 143.77 26.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.115 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.741 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -96.03 107.48 19.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.735 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -71.84 -43.38 65.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.587 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 142.21 155.95 6.63 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.564 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 12.5 ttp -93.07 108.49 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 0.749 . . . . 0.0 111.03 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 0.4 OUTLIER -110.28 139.31 21.34 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.97 166.17 29.78 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.6 HG21 HD13 ' A' ' 100' ' ' ILE . 5.7 m -150.78 129.62 3.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.02 -50.36 68.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.47 120.76 71.28 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HG3' ' CE2' ' A' ' 108' ' ' PHE . 18.2 Cg_endo -74.96 -9.62 20.9 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.481 1.78 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.7 m -139.83 139.8 37.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 136.47 139.53 3.97 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.63 -44.89 20.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.773 . . . . 0.0 111.062 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.99 -59.94 2.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.6 m -56.34 -44.61 80.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.423 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tp -49.54 -60.66 2.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.261 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -58.41 -48.21 81.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -43.78 -43.97 6.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.979 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.09 -52.35 65.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.436 HG12 HG22 ' A' ' 112' ' ' VAL . 68.3 mt -55.29 -62.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -42.98 -42.42 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.415 ' ND2' HD11 ' A' ' 26' ' ' LEU . 44.8 t-20 -56.26 -60.05 4.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.587 HD11 ' O ' ' A' ' 24' ' ' GLY . 14.9 mt -54.79 -49.32 71.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.326 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.1 -63.93 0.82 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.156 . . . . 0.0 111.006 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.0 p -76.49 62.0 1.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.365 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 43.1 t -163.92 -68.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 110.012 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 m -100.65 151.93 21.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.029 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.5 m -71.47 167.61 19.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.962 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 23.2 tttm -69.41 -49.06 58.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -64.95 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 110.264 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.38 -25.29 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 109.247 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.592 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -72.99 122.87 88.76 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 108.0 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 138.55 23.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.803 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.03 102.62 3.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.6 m -112.56 179.26 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -123.37 150.73 43.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 26.8 ttm -112.12 104.65 12.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -80.7 136.25 36.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 88.5 t -135.94 105.51 5.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.738 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -161.56 167.84 24.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 61' ' ' ALA . 9.6 t0 40.26 34.42 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.777 ' HA ' ' HB1' ' A' ' 129' ' ' ALA . . . 55.18 55.28 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.467 HG23 ' CG ' ' A' ' 81' ' ' ARG . 17.6 m -145.19 156.23 43.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.463 HG11 ' CE2' ' A' ' 99' ' ' PHE . 2.8 t -123.93 99.75 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.427 HG23 HG23 ' A' ' 76' ' ' VAL . 62.1 m -113.75 129.4 56.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.434 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 57.7 t -90.11 103.31 14.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 75' ' ' GLU . 7.3 mt -98.23 148.18 6.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.4 t -61.03 170.79 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.01 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -77.98 -41.72 35.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.47 -89.18 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -45.89 155.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -113.38 -16.32 12.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.73 -26.3 16.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.296 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.426 ' O ' HG23 ' A' ' 68' ' ' ILE . 4.0 tt0 -64.79 110.07 2.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.546 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -108.32 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.3 mt -53.09 -55.51 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.741 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.4 t -126.95 148.36 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -129.14 97.17 4.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.443 ' SG ' ' HE3' ' A' ' 101' ' ' MET . 99.1 m -115.84 150.29 37.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 108.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.467 ' CG ' HG23 ' A' ' 64' ' ' THR . 70.2 mtt180 -121.94 -174.97 3.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.605 HG21 ' HB1' ' A' ' 63' ' ' ALA . 10.3 m -97.26 -33.77 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.432 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -67.11 -16.14 64.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.454 ' O ' ' N ' ' A' ' 102' ' ' ASP . 18.7 m-85 -106.99 -9.39 16.25 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.858 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -68.87 142.48 54.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.41 -32.26 5.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.488 ' CD1' ' N ' ' A' ' 88' ' ' MET . 27.3 t80 -177.84 168.88 2.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.488 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -163.05 -150.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 127.7 159.24 10.02 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 96' ' ' THR . 16.2 t -80.11 138.46 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.464 0.743 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -67.93 -168.55 4.4 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.512 1.133 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -45.01 -62.37 1.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 0.803 . . . . 0.0 109.371 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.09 162.68 27.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.559 1.162 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.8 m -84.66 -10.02 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.421 ' HA ' ' O ' ' A' ' 115' ' ' CYS . 0.1 OUTLIER -96.95 15.64 21.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.614 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.536 ' O ' HG13 ' A' ' 90' ' ' VAL . 8.8 p -123.81 136.68 54.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 110.402 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.44 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 55.3 t80 -145.45 147.27 32.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.51 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -163.95 144.91 8.65 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.34 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.858 ' HB2' HD21 ' A' ' 85' ' ' LEU . 30.6 p90 -136.36 139.93 42.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.958 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.6 HD13 HG21 ' A' ' 28' ' ' VAL . 34.8 mt -87.86 125.34 41.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.691 ' SD ' HG22 ' A' ' 103' ' ' THR . 2.4 ppp? -113.2 165.79 12.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 84' ' ' PHE . 1.5 t70 -108.11 102.45 11.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.12 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.691 HG22 ' SD ' ' A' ' 101' ' ' MET . 63.9 p -78.55 -47.1 17.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 110.416 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 143.54 158.04 7.41 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.487 1.117 . . . . 0.0 111.039 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 106' ' ' GLN . 2.2 m120 63.16 60.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' ASN . 5.3 mt-30 37.22 41.3 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.8 134.11 50.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.501 ' CE2' ' HG3' ' A' ' 31' ' ' PRO . 26.2 m-85 -124.62 154.73 40.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.444 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 16.4 mm-40 -132.9 133.53 43.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.479 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 7.1 t -105.81 125.03 50.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 108.305 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.564 ' CE1' ' HG3' ' A' ' 25' ' ' MET . 59.4 m-70 -103.44 102.36 12.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 109.6 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.735 HG12 HD13 ' A' ' 23' ' ' LEU . 72.1 t -80.13 142.2 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 80.8 m-85 -146.88 166.82 25.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.409 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 15.0 t-105 -120.67 113.19 19.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 108.022 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.421 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.3 m -110.74 142.24 42.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 108.283 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.533 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.8 mt-10 -127.26 143.38 46.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.558 1.162 . . . . 0.0 110.299 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -74.99 -38.59 1.73 Allowed 'Cis proline' 0 C--N 1.36 1.145 0 C-N-CA 120.999 -2.5 . . . . 0.0 110.993 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -125.56 150.75 47.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.44 ' CB ' ' HB2' ' A' ' 97' ' ' PHE . . . -88.24 44.0 1.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.59 -48.41 8.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.3 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -62.19 -47.33 84.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.8 -70.04 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.33 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 t -40.82 -36.05 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -73.06 -53.29 11.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.1 -37.43 64.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.142 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.44 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 96.2 t -65.95 -52.53 47.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -62.15 -47.16 85.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 110.318 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.27 -24.16 2.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 1.077 . . . . 0.0 109.329 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.777 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -82.79 -49.42 9.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 44.9 t -62.49 -61.32 2.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.461 1.101 . . . . 0.0 108.337 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.7 83.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -112.23 -158.59 14.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 82.73 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.776 . . . . 0.0 110.968 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.8 m -53.46 -56.33 17.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.981 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 10.2 t 59.88 96.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -171.18 102.9 0.21 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 0.766 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 67.96 154.11 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.93 148.68 7.22 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -155.45 -65.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 0.793 . . . . 0.0 110.008 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.64 167.62 0.17 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 110.003 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.43 151.67 20.56 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.48 1.113 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 136.81 20.83 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.1 p -122.28 93.84 48.27 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.337 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.33 18.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.15 137.66 54.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.3 p -143.08 173.97 11.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 71.3 153.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.63 160.96 24.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.894 HG22 ' HB2' ' A' ' 61' ' ' ALA . 78.9 t -133.8 142.08 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -118.35 109.47 16.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.344 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.635 ' HD3' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -105.65 129.79 53.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.401 ' CG ' HG22 ' A' ' 122' ' ' VAL . 66.9 m-85 -131.3 121.04 24.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' NH1' ' OE2' ' A' ' 70' ' ' GLU . 3.6 ttt180 -68.74 107.4 3.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.408 HG11 ' SG ' ' A' ' 115' ' ' CYS . 4.3 m -132.41 158.97 43.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 50' ' ' LYS . 59.8 mt-30 -88.66 146.62 24.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.329 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.667 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -99.28 105.78 17.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.167 . . . . 0.0 110.99 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.8 HD13 HG12 ' A' ' 112' ' ' VAL . 0.8 OUTLIER -71.66 -47.29 55.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 146.2 178.33 21.55 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.543 1.152 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.53 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 26.5 ttp -109.05 119.31 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 0.793 . . . . 0.0 111.012 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 27' ' ' PRO . 2.4 tt -117.59 127.95 26.33 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.416 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.3 Cg_endo -75.02 153.67 41.86 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 24.9 m -144.36 153.73 15.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.65 -46.2 9.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.2 118.33 71.88 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -4.74 15.85 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 28.9 m -144.52 156.77 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.05 148.33 7.59 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.501 1.125 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.52 -44.35 9.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.567 0.804 . . . . 0.0 111.035 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.4 -66.43 0.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 109.226 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.2 m -51.84 -46.44 64.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.43 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 HD21 ' O ' ' A' ' 89' ' ' GLY . 2.6 tp -49.9 -53.48 25.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.307 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 56.6 m-80 -67.35 -55.96 11.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.11 -40.47 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.98 -48.97 77.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 94.0 mt -56.2 -62.83 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -40.81 -38.07 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.307 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.87 -63.22 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.0 mt -54.75 -36.4 64.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.0 -61.55 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 26.9 p -69.34 -15.81 63.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.127 . . . . 0.0 110.382 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.3 t -65.51 -68.68 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 18.4 m -112.49 159.66 18.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 110.031 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.43 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 2.2 m -74.32 171.69 13.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.027 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.588 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 20.1 tttm -67.11 -50.75 60.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.358 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -67.71 -31.32 71.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.082 . . . . 0.0 110.308 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.86 -19.66 18.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.588 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.9 m0 -80.6 124.44 82.01 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 108.025 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 139.42 24.19 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 0.0 111.007 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.61 102.25 4.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.4 m -110.35 175.62 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -118.67 143.94 46.52 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 20.9 tpp -107.6 102.57 11.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -80.86 136.94 36.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.147 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 84.4 t -135.43 103.37 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.894 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -157.0 166.43 33.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 61' ' ' ALA . 2.0 t0 40.28 36.14 0.32 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.767 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.15 55.75 8.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 80' ' ' CYS . 45.3 m -145.89 154.93 42.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.401 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.451 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.8 t -120.14 99.64 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.8 m -112.2 119.37 38.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.12 . . . . 0.0 110.367 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.2 t -85.44 100.6 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.299 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.785 HG23 ' O ' ' A' ' 75' ' ' GLU . 6.4 mt -94.91 143.68 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 109.311 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.672 ' HA ' HD11 ' A' ' 77' ' ' LEU . 31.2 t -59.91 161.81 6.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.019 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' OE2' ' NH1' ' A' ' 19' ' ' ARG . 8.2 tt0 -74.38 -51.33 15.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -65.41 -85.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.331 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -60.78 151.18 30.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -110.46 -26.21 9.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.162 . . . . 0.0 110.317 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -81.98 -9.08 59.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.785 ' O ' HG23 ' A' ' 68' ' ' ILE . 2.3 tm-20 -81.71 138.33 35.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -122.34 99.9 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 109.265 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.672 HD11 ' HA ' ' A' ' 69' ' ' SER . 6.7 mt -61.86 -52.08 65.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.667 HG21 ' OH ' ' A' ' 22' ' ' TYR . 7.2 t -145.52 144.22 21.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -124.28 112.84 17.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.591 ' O ' HG23 ' A' ' 64' ' ' THR . 3.6 t -119.89 149.57 41.88 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.475 1.11 . . . . 0.0 108.285 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.7 mtp85 -124.55 133.57 53.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.767 HG21 ' HB1' ' A' ' 63' ' ' ALA . 7.3 m -58.07 -19.65 13.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 109.329 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.619 ' CZ ' ' CE2' ' A' ' 84' ' ' PHE . 1.9 ppt_? -79.91 -15.56 57.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.289 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.619 ' CE2' ' CZ ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -111.05 -3.5 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.967 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.865 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.81 148.24 42.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.3 m -114.74 -32.3 5.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.6 ' CE1' ' O ' ' A' ' 88' ' ' MET . 38.5 t80 -176.89 172.38 2.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.6 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -163.31 -149.92 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.992 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.577 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 126.51 155.16 8.82 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 96' ' ' THR . 84.9 t -77.75 140.98 16.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.494 0.761 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -71.31 -169.79 10.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -42.9 -62.58 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.75 . . . . 0.0 109.28 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -76.85 162.25 27.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 36.0 m -84.7 -12.78 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.548 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -93.83 17.72 11.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 109.618 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.797 ' O ' HG13 ' A' ' 90' ' ' VAL . 5.1 p -126.25 133.85 51.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.397 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.604 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 49.0 t80 -138.03 139.31 39.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 111' ' ' HIS . . . -150.82 148.04 28.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.865 ' HB2' HD21 ' A' ' 85' ' ' LEU . 9.4 p90 -141.69 137.12 31.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.753 ' O ' HD23 ' A' ' 85' ' ' LEU . 61.0 mt -88.1 125.16 41.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.419 ' CB ' ' SG ' ' A' ' 80' ' ' CYS . 24.1 ptm -117.21 152.06 35.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -107.02 105.3 15.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.715 HG21 ' CD ' ' A' ' 109' ' ' GLU . 55.1 p -83.53 -18.23 39.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 110.389 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 105' ' ' ASN . . . 113.05 159.75 13.95 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' GLN . 7.1 m-20 65.26 61.24 0.74 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.336 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' ASN . 4.5 mt-30 35.81 36.62 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.473 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' A' ' 105' ' ' ASN . 0.0 OUTLIER -116.59 127.44 54.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -127.95 128.8 45.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 111.0 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.715 ' CD ' HG21 ' A' ' 103' ' ' THR . 66.9 mt-10 -108.9 138.32 45.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.3 t -116.94 107.3 14.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 108.283 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.581 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 89.5 m-70 -89.76 121.94 32.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.613 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.8 HG12 HD13 ' A' ' 23' ' ' LEU . 87.1 t -98.46 139.81 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.581 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 89.3 m-85 -146.1 164.43 32.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.548 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 5.5 t-105 -124.31 119.3 28.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 108.009 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.408 ' SG ' HG11 ' A' ' 20' ' ' VAL . 3.2 m -115.22 151.74 33.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 108.279 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.513 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.3 mt-10 -129.86 142.56 45.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -74.95 -50.07 0.2 Allowed 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.973 -2.511 . . . . 0.0 111.044 -0.036 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -113.43 149.26 34.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.604 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -88.52 42.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 124' ' ' GLU . . . -79.2 -56.51 4.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.251 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -62.32 -54.66 37.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.752 ' O ' HG23 ' A' ' 126' ' ' VAL . 55.1 t -51.17 -29.15 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.3 t -89.83 -28.43 19.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.113 . . . . 0.0 110.013 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.526 ' CG ' ' N ' ' A' ' 125' ' ' ALA . 2.8 pt-20 -76.92 -47.69 20.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.526 ' N ' ' CG ' ' A' ' 124' ' ' GLU . . . -55.96 -35.33 66.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 122' ' ' VAL . 63.3 t -72.83 -52.79 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.248 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.413 ' C ' ' N ' ' A' ' 129' ' ' ALA . 4.3 mm-40 -55.71 -55.12 36.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.54 -27.95 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.506 ' CB ' HG11 ' A' ' 82' ' ' VAL . . . -86.25 -55.69 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.7 m -50.7 -43.94 57.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 108.302 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 32.3 t -60.85 -57.63 11.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 109.981 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 136.85 -160.57 24.92 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.133 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 179.19 6.3 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.524 1.802 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.47 130.64 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.963 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.7 m -80.33 121.38 25.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.466 1.104 . . . . 0.0 110.96 -179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.5 p -131.11 130.07 42.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -169.47 122.81 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.022 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.92 111.17 0.47 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.524 1.14 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.1 p -149.08 143.17 25.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 0.79 . . . . 0.0 109.994 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.44 150.64 24.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 110.035 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.45 174.72 33.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.996 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 72.87 4.51 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.048 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 7.9 t -87.51 145.91 38.38 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -75.01 137.18 21.36 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.517 1.798 . . . . 0.0 110.968 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -79.05 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 67.5 p -126.64 90.54 3.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.411 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -116.34 150.48 37.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.07 149.3 24.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.105 HG22 ' HB2' ' A' ' 61' ' ' ALA . 77.2 t -125.57 148.78 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -123.5 109.96 14.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.503 1.127 . . . . 0.0 110.318 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -105.86 127.35 53.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.095 . . . . 0.0 109.337 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -130.23 115.61 17.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.148 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.509 ' CZ ' ' CB ' ' A' ' 55' ' ' SER . 1.6 ttt180 -65.1 99.62 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 110.271 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' ' 56' ' ' VAL . 26.1 m -123.24 156.6 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.582 1.176 . . . . 0.0 109.246 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.431 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 46.2 mt-30 -88.75 139.45 30.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.571 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -91.9 103.0 15.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.825 HD13 HG12 ' A' ' 112' ' ' VAL . 1.1 mp -66.78 -47.96 70.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.522 ' C ' HD11 ' A' ' 44' ' ' LEU . . . 149.62 179.33 25.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.567 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 11.3 ttp -112.52 116.74 30.72 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.77 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tt -118.26 127.47 26.57 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 147.25 33.51 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.511 1.795 . . . . 0.0 110.994 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 11.8 m -136.56 146.14 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.06 -45.55 16.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.68 115.51 46.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -7.39 19.12 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.455 1.766 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 87' ' ' PHE . 20.7 m -146.19 154.94 12.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.17 153.79 8.73 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 2.0 mtp -97.44 -45.47 6.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 0.786 . . . . 0.0 111.037 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -41.56 -66.26 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -53.35 -48.45 68.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 110.409 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.705 HD21 ' O ' ' A' ' 89' ' ' GLY . 2.7 tp -44.98 -49.78 11.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.5 m-80 -65.7 -56.38 12.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.6 t -41.84 -44.81 3.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.34 -49.59 75.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.37 -62.19 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -39.48 -32.5 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -70.86 -66.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.522 HD11 ' C ' ' A' ' 24' ' ' GLY . 8.5 mt -52.27 -25.49 9.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.77 -45.33 86.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.3 p -85.31 -24.51 27.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.0 t -56.79 -66.27 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.984 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 75.5 m -113.51 158.91 20.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.969 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.452 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 11.2 m -73.65 175.25 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 110.004 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.605 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 10.6 tttm -67.64 -52.92 32.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.37 -41.33 98.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -45.11 -26.91 0.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.605 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -73.46 122.06 86.68 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.003 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.505 ' O ' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.97 132.14 15.12 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.509 ' CB ' ' CZ ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -67.25 102.76 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.03 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.505 HG13 ' O ' ' A' ' 54' ' ' PRO . 11.4 m -113.66 171.44 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -115.1 147.68 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 43.9 ttm -109.82 101.03 9.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.407 ' OD1' ' C ' ' A' ' 59' ' ' ASN . 18.8 t-20 -81.14 131.4 35.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.494 HG22 HG22 ' A' ' 65' ' ' VAL . 48.4 t -135.24 106.39 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 1.105 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -138.58 147.41 42.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.99 -73.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.748 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . -179.31 35.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.268 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.641 HG23 ' O ' ' A' ' 80' ' ' CYS . 25.9 m -128.92 155.12 45.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 110.366 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.494 HG22 HG22 ' A' ' 60' ' ' VAL . 4.3 t -119.32 101.47 11.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.724 HG22 HG23 ' A' ' 76' ' ' VAL . 27.7 m -108.25 119.22 38.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.403 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 77' ' ' LEU . 56.2 t -84.4 105.92 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.573 HG23 ' O ' ' A' ' 73' ' ' GLU . 36.6 mt -98.72 156.53 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -82.81 170.08 15.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -84.61 -37.88 20.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.91 -73.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -107.45 -176.7 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.573 ' O ' HG23 ' A' ' 68' ' ' ILE . 43.8 mm-40 -109.71 -49.34 3.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.165 . . . . 0.0 110.29 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -57.62 -19.34 25.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -72.33 71.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.318 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.724 HG23 HG22 ' A' ' 66' ' ' THR . 2.2 p -72.21 104.36 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 67' ' ' VAL . 5.3 mt -61.8 -53.35 57.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.571 HG21 ' OH ' ' A' ' 22' ' ' TYR . 5.1 t -138.85 153.74 25.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 109.282 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -134.16 107.11 7.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.641 ' O ' HG23 ' A' ' 64' ' ' THR . 2.4 t -112.04 145.96 38.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 108.302 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 -123.49 136.9 54.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.748 HG21 ' HB1' ' A' ' 63' ' ' ALA . 16.0 m -59.87 -22.93 25.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.133 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 84' ' ' PHE . 0.5 OUTLIER -77.72 -24.98 48.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 83' ' ' ARG . 0.4 OUTLIER -103.46 3.3 34.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.909 HD23 ' O ' ' A' ' 100' ' ' ILE . 0.2 OUTLIER -81.97 151.77 27.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.284 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.7 m -115.8 -34.54 4.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.957 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.605 ' CE2' ' O ' ' A' ' 88' ' ' MET . 39.2 t80 -178.26 172.92 1.48 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.605 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -162.43 -149.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 0.0 111.041 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.705 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 126.49 153.0 8.22 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.556 HG13 ' O ' ' A' ' 96' ' ' THR . 69.5 t -78.12 147.22 7.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 0.788 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.36 -165.55 36.65 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -40.41 -70.99 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.53 160.65 28.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.464 ' HA ' HG11 ' A' ' 90' ' ' VAL . 32.7 m -83.67 -9.76 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 1.5 m80 -89.07 11.22 19.04 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 109.61 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.556 ' O ' HG13 ' A' ' 90' ' ' VAL . 4.4 p -125.02 135.27 52.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.1 t80 -139.01 143.72 38.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.618 ' HB1' ' SG ' ' A' ' 110' ' ' CYS . . . -155.97 151.48 27.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.267 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.756 ' HB2' HD21 ' A' ' 85' ' ' LEU . 7.1 p90 -145.38 139.87 27.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.909 ' O ' HD23 ' A' ' 85' ' ' LEU . 43.4 mt -88.07 128.58 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.477 ' HE3' ' HB2' ' A' ' 101' ' ' MET . 27.3 ptm -128.58 165.09 21.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -111.96 124.02 51.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 10.8 p -114.52 -52.36 2.72 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.441 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -85.77 -147.38 9.9 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.522 1.139 . . . . 0.0 110.986 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -79.8 -67.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 0.746 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.5 mt-30 -115.95 14.52 16.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.321 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.5 mmt180 -89.24 154.91 19.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -139.66 141.67 37.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.414 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 25.2 mm-40 -121.59 145.9 47.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 110.281 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.618 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 48.6 t -121.83 113.06 19.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 108.298 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 67.4 m-70 -92.28 110.28 21.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.566 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.825 HG12 HD13 ' A' ' 23' ' ' LEU . 88.5 t -86.48 141.55 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.36 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 93.9 m-85 -146.98 167.3 24.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.953 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.506 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 10.7 t-105 -123.06 119.8 31.42 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.2 m -115.61 148.01 40.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 108.335 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.532 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.3 mt-10 -132.32 145.43 57.28 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.0 Cg_endo -75.05 -33.82 3.81 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.954 -2.519 . . . . 0.0 110.974 0.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 118' ' ' ASN . 0.0 OUTLIER -128.82 153.39 47.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -90.38 40.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . 0.447 ' O ' ' CG ' ' A' ' 124' ' ' GLU . . . -90.33 -29.67 17.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -84.63 -34.1 23.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 109.242 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.35 -62.94 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 13.3 t -49.88 -37.58 31.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.447 ' CG ' ' O ' ' A' ' 120' ' ' ALA . 9.1 mm-40 -64.3 -59.24 4.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -48.68 -30.48 5.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.494 HG22 ' CG2' ' A' ' 65' ' ' VAL . 97.1 t -82.35 -52.25 13.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -56.91 -54.04 51.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.296 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -43.68 -32.2 0.94 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.565 1.166 . . . . 0.0 109.299 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.662 ' CB ' HG11 ' A' ' 82' ' ' VAL . . . -75.9 -59.7 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 38.9 t -43.76 -46.23 7.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 108.287 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -60.01 3.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 148.49 -91.62 0.14 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 158.3 42.39 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.89 -29.76 10.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 110.021 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.82 94.07 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 110.002 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 -179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 p -164.11 138.24 5.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.983 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -147.15 170.62 16.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.64 172.94 18.09 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.494 1.121 . . . . 0.0 111.05 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.6 p -131.69 161.12 33.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 0.786 . . . . 0.0 110.001 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -133.16 167.65 19.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 110.007 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.37 -178.16 15.27 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -176.8 3.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.531 1.806 . . . . 0.0 111.037 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 21.9 p -118.47 89.64 37.05 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.554 1.159 . . . . 0.0 110.414 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.73 38.33 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.533 1.807 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 74.13 128.13 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 t -151.92 155.72 38.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.427 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.3 mt-10 -134.89 163.17 30.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -57.41 138.85 54.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.257 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.855 HG22 ' HB2' ' A' ' 61' ' ' ALA . 80.7 t -130.82 151.96 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -125.43 110.6 14.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.293 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -102.4 131.75 48.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.338 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -130.39 113.98 15.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -65.63 108.68 2.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.3 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' A' ' 115' ' ' CYS . 11.7 m -134.34 154.95 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 50' ' ' LYS . 59.7 mt-30 -88.44 143.43 26.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.324 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.621 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.6 OUTLIER -94.11 106.16 18.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.562 1.164 . . . . 0.0 111.008 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 112' ' ' VAL . 0.4 OUTLIER -73.84 -44.71 54.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 140.42 162.4 9.1 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -90.01 131.87 35.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.49 0.759 . . . . 0.0 111.009 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 tt -130.05 127.53 22.69 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.127 . . . . 0.0 109.301 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.52 38.02 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.491 1.785 . . . . 0.0 110.973 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -142.87 147.11 21.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -76.01 -50.51 14.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.21 115.38 55.95 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.288 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.602 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.0 -7.79 19.49 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.449 1.763 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.478 HG12 ' HB2' ' A' ' 87' ' ' PHE . 31.2 m -138.88 147.96 24.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 130.75 165.09 11.44 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -106.32 -40.34 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 111.033 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -47.58 -64.33 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -52.57 -48.44 66.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.388 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 98' ' ' ALA . 2.3 tp -45.75 -69.55 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.329 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 58.4 m-80 -48.79 -53.38 19.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.54 -53.87 4.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -53.29 -54.19 39.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.5 mt -50.87 -56.5 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.09 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.489 ' O ' HG23 ' A' ' 46' ' ' THR . 3.3 mt-10 -51.39 -49.24 61.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -54.33 -48.91 70.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 45' ' ' MET . 13.3 mt -64.71 -50.86 65.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.416 ' C ' ' O ' ' A' ' 44' ' ' LEU . 0.9 OUTLIER -36.75 -65.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.489 HG23 ' O ' ' A' ' 42' ' ' GLU . 81.6 p -38.4 -63.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.376 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -67.22 145.33 55.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.986 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 47' ' ' SER . 63.5 m 61.69 129.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.982 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' CD1' ' A' ' 53' ' ' TRP . 19.3 m -77.52 177.06 8.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.012 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' O ' ' NE2' ' A' ' 21' ' ' GLN . 0.8 OUTLIER -62.28 -48.47 79.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -65.79 -38.74 89.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.17 -23.12 3.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.532 ' CH2' HD21 ' A' ' 23' ' ' LEU . 15.3 m0 -81.05 123.85 81.66 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 107.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.525 ' O ' HG13 ' A' ' 56' ' ' VAL . 18.4 Cg_endo -74.96 130.05 12.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.548 1.815 . . . . 0.0 111.013 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -68.39 102.1 1.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.017 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 54' ' ' PRO . 5.8 m -111.11 176.68 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -120.91 151.65 39.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 57.6 ttm -113.65 105.67 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -82.89 137.35 34.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 96.4 t -135.34 109.41 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.855 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -163.98 168.57 19.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' ALA . 4.8 t0 39.83 36.53 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.612 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 53.25 55.09 9.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 80' ' ' CYS . 2.6 m -145.2 160.54 41.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.565 HG21 HG13 ' A' ' 126' ' ' VAL . 3.6 t -129.13 99.67 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.623 HG23 HG13 ' A' ' 76' ' ' VAL . 18.8 m -114.06 125.9 54.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.427 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.418 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 59.9 t -86.56 105.64 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.4 mt -96.87 144.06 11.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.497 ' HA ' HD11 ' A' ' 77' ' ' LEU . 4.2 t -60.3 170.39 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.018 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -92.51 -47.54 7.09 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -91.3 50.27 1.73 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 167.13 98.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -80.73 56.61 2.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.32 -42.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.85 116.56 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.286 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.623 HG13 HG23 ' A' ' 66' ' ' THR . 41.0 t -95.39 103.33 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 69' ' ' SER . 6.1 mt -65.55 -60.53 2.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.288 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.621 HG21 ' OH ' ' A' ' 22' ' ' TYR . 2.7 t -126.16 143.99 37.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -119.61 97.27 5.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 65' ' ' VAL . 72.4 m -115.84 150.47 36.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.318 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.569 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 72.8 mtt-85 -123.88 -174.59 3.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.612 HG21 ' HB1' ' A' ' 63' ' ' ALA . 12.4 m -99.08 -31.34 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -71.48 -16.97 62.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.266 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.569 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 20.2 m-85 -107.45 -3.69 19.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.846 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -74.54 147.55 41.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -114.27 -38.57 4.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.089 . . . . 0.0 110.007 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.529 ' CD1' ' N ' ' A' ' 88' ' ' MET . 38.6 t80 -178.17 171.71 1.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.989 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.529 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 10.2 ptp -170.58 -157.28 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.459 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.21 -175.13 26.74 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.52 1.138 . . . . 0.0 110.962 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 119' ' ' ALA . 77.0 t -103.71 119.73 52.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -49.52 178.97 0.02 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.527 1.142 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.434 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 2.7 mttm -40.43 -51.43 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 0.754 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 93' ' ' ASP . 0.0 OUTLIER -81.98 161.91 22.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 119' ' ' ALA . 32.6 m -83.95 -8.68 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.262 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.402 ' HB2' ' CE2' ' A' ' 114' ' ' TRP . 0.0 OUTLIER -102.7 25.53 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.13 . . . . 0.0 109.634 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.4 p -130.88 127.54 38.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.423 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 49.7 t80 -137.49 127.42 25.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.991 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.441 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -143.87 151.69 40.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.846 ' HB2' HD21 ' A' ' 85' ' ' LEU . 8.2 p90 -145.37 145.19 31.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.602 HG21 ' HA ' ' A' ' 31' ' ' PRO . 15.4 mt -90.8 125.59 43.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.267 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 19.0 ptm -110.54 164.02 13.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -124.33 107.69 11.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 40.4 p -86.86 -56.7 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.429 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -179.6 146.66 7.17 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.439 ' N ' ' OD1' ' A' ' 105' ' ' ASN . 0.8 OUTLIER 72.08 -168.7 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 109.347 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -82.11 50.25 1.54 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 110.297 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.71 142.55 50.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -138.92 128.85 25.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 111.039 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -104.03 133.84 48.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.153 . . . . 0.0 110.307 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 5.4 t -112.51 110.94 21.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 108.295 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.449 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 51.2 m-70 -92.37 117.45 29.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.587 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 23' ' ' LEU . 78.7 t -95.23 143.93 10.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.449 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 94.5 m-85 -146.85 165.21 30.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.402 ' CE2' ' HB2' ' A' ' 95' ' ' HIS . 8.0 t-105 -117.88 112.69 20.69 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.479 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.3 m -105.7 146.29 29.96 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.536 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.9 mt-10 -132.06 142.73 46.16 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 110.283 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -74.98 -44.51 0.55 Allowed 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.963 -2.515 . . . . 0.0 111.044 -0.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 11.9 p30 -116.74 157.07 26.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.369 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -90.59 38.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -88.72 -40.68 13.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 34.6 t-20 -73.15 -40.87 64.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 126' ' ' VAL . 2.6 t -64.36 -65.41 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.491 ' O ' ' CG ' ' A' ' 127' ' ' GLN . 5.8 t -46.72 -39.6 11.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.01 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.08 -58.6 4.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.359 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -53.01 -32.84 48.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.693 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 79.4 t -77.9 -47.86 24.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.544 1.153 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.491 ' CG ' ' O ' ' A' ' 123' ' ' SER . 6.8 mm-40 -58.93 -54.13 50.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.113 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -49.01 -24.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.098 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.693 ' HB3' ' O ' ' A' ' 126' ' ' VAL . . . -72.18 -50.15 30.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 37.5 t -68.67 -64.77 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 108.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.19 85.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -124.59 -130.72 3.57 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -37.71 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.459 1.768 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 97.2 p -69.16 122.9 19.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.965 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.75 151.31 30.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 110.956 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -147.39 -58.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.597 0.822 . . . . 0.0 109.983 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 61.79 153.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 110.006 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.48 -70.43 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.434 1.084 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.64 168.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 0.771 . . . . 0.0 109.993 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.83 151.57 24.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.051 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.14 93.93 0.53 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 98.84 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 97.6 m -79.75 141.44 55.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 0.0 110.409 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -74.94 -170.24 0.75 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.542 1.812 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.46 175.19 4.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.8 p -99.46 75.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.399 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -103.72 162.1 13.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.333 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.25 137.28 48.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.844 HG22 ' CB ' ' A' ' 61' ' ' ALA . 94.7 t -127.42 152.35 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.517 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 18.8 mt-30 -123.04 110.03 14.83 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -103.01 125.58 49.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 79.9 m-85 -125.5 112.98 16.87 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 110.988 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' NE ' ' OE1' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.3 100.74 0.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 56' ' ' VAL . 17.4 m -125.45 158.22 34.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -88.57 145.79 25.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.635 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -96.69 102.38 14.15 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -66.65 -47.69 71.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.407 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 141.66 165.03 10.26 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -93.25 133.38 36.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.565 0.803 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 tt -134.63 127.39 18.55 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.22 36.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.6 m -131.97 163.54 37.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.03 -42.72 10.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.2 mtt85 -94.24 129.32 37.54 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.442 1.088 . . . . 0.0 110.246 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -9.26 20.69 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.015 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG12 ' HB2' ' A' ' 87' ' ' PHE . 11.4 m -139.66 178.59 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.152 . . . . 0.0 109.284 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.83 145.08 17.32 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -85.81 -45.58 11.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -43.92 -61.61 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -54.88 -39.96 69.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 110.389 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -58.44 -61.09 2.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -53.42 -53.02 57.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -43.71 -46.88 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 0.0 110.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.72 -59.7 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.282 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.427 HD11 ' HB3' ' A' ' 98' ' ' ALA . 90.9 mt -48.3 -65.87 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.572 ' O ' HG22 ' A' ' 46' ' ' THR . 10.2 mt-10 -40.91 -43.78 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -52.7 -60.84 2.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.407 HD11 ' O ' ' A' ' 24' ' ' GLY . 12.9 mt -52.43 -58.08 7.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.581 1.176 . . . . 0.0 109.307 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -41.22 -62.4 0.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.619 ' O ' HG23 ' A' ' 46' ' ' THR . 12.2 t -73.85 59.55 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.373 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -164.8 -57.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 109.992 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -108.37 157.27 18.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.4 m -72.99 169.31 17.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 110.018 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 10.4 tttm -75.15 -51.07 14.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -66.04 -31.56 72.52 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -51.87 -30.58 24.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.591 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 8.8 m0 -68.59 128.63 92.95 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 107.971 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 137.8 22.22 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.489 1.784 . . . . 0.0 110.982 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.46 102.35 4.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.123 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 20' ' ' VAL . 8.4 m -112.36 168.79 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.0 m-20 -112.92 141.91 46.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 109.27 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.2 tpp -105.37 107.11 17.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -82.84 136.91 34.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 82.8 t -135.41 109.88 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.844 ' CB ' HG22 ' A' ' 15' ' ' VAL . . . -167.54 169.91 11.64 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.6 t70 40.36 32.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.699 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 54.47 53.53 10.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 80' ' ' CYS . 49.9 m -146.28 153.91 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.393 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 2.9 t -118.82 104.61 16.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.446 ' CG2' HG23 ' A' ' 76' ' ' VAL . 94.4 m -116.64 119.99 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 110.46 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 78' ' ' VAL . 57.7 t -85.52 107.95 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.409 HG21 ' HA ' ' A' ' 73' ' ' GLU . 16.6 mt -101.99 156.13 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.413 1.071 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.3 t -77.24 167.36 21.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' OE1' ' NE ' ' A' ' 19' ' ' ARG . 7.4 tt0 -83.1 -49.0 9.96 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 46.19 1.35 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 167.61 150.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' HA ' HG21 ' A' ' 68' ' ' ILE . 5.8 pt-20 -113.67 -28.53 7.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 110.356 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -90.9 17.33 7.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -108.39 77.22 1.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.291 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.446 HG23 ' CG2' ' A' ' 66' ' ' THR . 1.3 p -76.41 96.69 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.582 1.176 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 mt -61.74 -42.75 99.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.635 HG21 ' OH ' ' A' ' 22' ' ' TYR . 5.4 t -145.33 143.08 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -128.12 114.45 17.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.548 ' O ' HG23 ' A' ' 64' ' ' THR . 0.5 OUTLIER -125.05 150.16 47.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.272 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.437 ' CB ' ' HG3' ' A' ' 83' ' ' ARG . 16.2 mtt85 -123.29 138.4 54.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.699 HG21 ' HB1' ' A' ' 63' ' ' ALA . 5.3 m -61.48 -14.8 11.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.625 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -82.95 -16.06 48.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.625 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -111.47 -15.54 13.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.862 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -58.24 153.44 15.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.81 -36.32 3.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.033 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 88' ' ' MET . 44.2 t80 -178.16 174.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.598 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.41 -148.49 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 133.93 154.21 7.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.514 1.134 . . . . 0.0 110.99 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 39.0 t -79.39 126.43 39.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -56.5 -176.91 0.32 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.017 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.55 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 0.751 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.68 166.41 15.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 30.1 m -86.07 -12.3 11.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.577 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.6 OUTLIER -97.93 27.3 4.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.097 . . . . 0.0 109.613 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.6 p -130.07 143.67 50.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.359 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -150.79 137.8 19.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 111.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.427 ' HB3' HD11 ' A' ' 41' ' ' ILE . . . -153.75 142.72 21.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.862 ' HB2' HD21 ' A' ' 85' ' ' LEU . 9.3 p90 -136.51 138.34 41.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.093 . . . . 0.0 110.976 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.667 ' O ' HD23 ' A' ' 85' ' ' LEU . 26.5 mt -87.92 131.36 35.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.509 ' SD ' ' CD2' ' A' ' 111' ' ' HIS . 27.9 ptm -126.75 164.93 20.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -115.56 122.49 45.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.629 HG21 ' OE2' ' A' ' 109' ' ' GLU . 32.1 p -105.56 -15.15 15.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.409 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 147.35 149.47 4.97 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.527 1.142 . . . . 0.0 111.036 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.05 -156.7 0.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 0.778 . . . . 0.0 109.285 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -89.71 16.2 8.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.317 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -89.36 141.09 28.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -135.97 136.83 40.69 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.518 1.136 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.629 ' OE2' HG21 ' A' ' 103' ' ' THR . 61.1 mt-10 -108.9 140.53 42.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 8.7 t -120.68 104.14 9.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 108.268 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 79.9 m-70 -84.47 110.85 18.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 109.575 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.793 HG12 HD13 ' A' ' 23' ' ' LEU . 96.9 t -89.34 142.67 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 93.2 m-85 -146.82 167.48 23.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.998 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -121.45 115.58 23.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 108.029 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.5 m -111.82 149.05 32.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 108.312 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.517 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 16.4 mt-10 -135.94 151.13 73.33 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.268 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.577 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.2 Cg_endo -75.04 -9.66 24.13 Favored 'Cis proline' 0 C--N 1.36 1.163 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.956 0.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.405 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 3.0 p30 -155.61 153.96 30.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.1 42.64 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.82 -39.87 12.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -76.47 -40.74 49.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 126' ' ' VAL . 13.3 t -63.85 -66.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.321 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.6 t -47.02 -37.61 9.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.987 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -66.2 -56.08 13.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 110.319 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -54.25 -35.06 62.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.531 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 96.7 t -73.48 -50.45 30.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 130' ' ' CYS . 1.0 OUTLIER -59.38 -54.02 51.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.311 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -45.29 -27.44 0.65 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.572 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -78.27 -45.16 23.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 127' ' ' GLN . 42.2 t -63.55 -55.93 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 108.328 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 18.1 m -94.46 78.59 3.86 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.984 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -61.47 -158.78 0.09 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.24 2.89 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.479 1.779 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 94.5 p -117.03 118.28 31.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.71 169.11 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.497 1.123 . . . . 0.0 110.965 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.56 106.48 2.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 0.75 . . . . 0.0 110.042 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.13 157.25 9.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.14 63.03 1.61 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.9 t -57.15 126.58 27.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 0.748 . . . . 0.0 109.992 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -161.54 111.01 1.58 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.85 121.05 3.12 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.542 1.151 . . . . 0.0 110.98 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 176.67 9.59 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.47 1.774 . . . . 0.0 111.048 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 p -62.68 157.74 56.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 110.416 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.18 18.92 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.546 1.813 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 81.8 mttt 59.67 96.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.409 ' H ' HG23 ' A' ' 12' ' ' THR . 27.5 p -64.89 107.01 1.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 110.426 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -173.09 135.87 0.62 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.259 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -100.46 130.43 46.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.66 HG21 ' ND2' ' A' ' 59' ' ' ASN . 1.5 m -75.34 162.92 4.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -104.35 109.32 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.23 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -108.22 127.2 53.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -127.14 116.36 20.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.2 101.38 0.54 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.339 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.634 HG12 ' HA ' ' A' ' 115' ' ' CYS . 31.5 m -126.78 156.26 37.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.268 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 51.9 mt-30 -88.51 140.31 29.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.591 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -91.45 101.01 13.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.991 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.729 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -64.0 -45.83 87.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.628 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 143.49 158.92 7.75 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.485 1.116 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.522 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 15.7 ttp -90.92 129.18 36.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 27' ' ' PRO . 1.4 tt -130.17 127.91 22.67 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.439 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -74.99 161.17 39.24 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.5 m -142.13 165.71 17.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -89.2 -52.49 5.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.264 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtt180 -86.02 143.94 38.2 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -20.55 16.71 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.949 HG12 ' HB2' ' A' ' 87' ' ' PHE . 34.0 m -137.3 -177.36 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.99 130.97 5.8 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.534 1.146 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.7 -45.8 41.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 0.77 . . . . 0.0 111.032 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.09 -61.82 1.49 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.8 m -55.11 -49.08 72.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.411 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.476 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 3.3 tp -46.4 -63.38 1.02 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 -53.38 -54.9 30.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.35 -41.05 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.99 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 37' ' ' LEU . . . -62.17 -59.18 5.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 84.9 mt -49.59 -66.65 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.235 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.578 ' O ' HG22 ' A' ' 46' ' ' THR . 23.1 mt-10 -40.94 -41.69 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -52.97 -62.02 1.92 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.628 HD11 ' O ' ' A' ' 24' ' ' GLY . 12.3 mt -53.35 -57.45 10.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.07 -64.89 0.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 111.037 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 42' ' ' GLU . 9.0 t -74.01 59.8 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.36 -69.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 m -86.74 144.75 26.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.991 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m -73.42 165.26 25.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 110.019 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 22.3 tttm -68.5 -53.21 24.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -65.27 -32.24 73.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.06 -20.71 6.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.27 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.592 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 9.5 m0 -78.73 122.85 85.27 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 140.98 26.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.495 1.787 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.8 102.01 5.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.042 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 m -110.04 179.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -125.38 141.14 52.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.435 ' SD ' HG22 ' A' ' 67' ' ' VAL . 8.7 tpp -107.88 101.42 10.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.66 ' ND2' HG21 ' A' ' 15' ' ' VAL . 38.0 t-20 -80.9 142.24 33.76 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.406 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 90.8 t -135.4 101.24 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.567 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -151.2 165.16 34.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.9 t70 41.29 39.14 0.91 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.8 ' O ' HG22 ' A' ' 82' ' ' VAL . . . 50.99 52.28 15.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.297 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 80' ' ' CYS . 4.8 m -142.89 159.17 42.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 65' ' ' VAL . 2.7 t -123.45 102.05 10.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.456 HG23 HG13 ' A' ' 76' ' ' VAL . 22.9 m -114.06 119.78 38.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 110.372 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.435 HG22 ' SD ' ' A' ' 58' ' ' MET . 60.7 t -85.29 103.29 12.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 7.7 mt -96.78 143.99 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.3 t -67.44 149.88 49.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.009 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -67.93 -57.33 6.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.316 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 54.82 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 168.9 164.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -128.8 -43.5 1.37 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 110.326 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.59 -9.26 58.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -85.17 105.56 15.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 110.325 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG13 HG23 ' A' ' 66' ' ' THR . 83.8 t -98.41 104.11 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.34 -61.4 2.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.591 HG21 ' OH ' ' A' ' 22' ' ' TYR . 4.1 t -131.4 139.61 50.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -120.42 96.27 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.324 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.492 ' O ' HG23 ' A' ' 64' ' ' THR . 80.0 m -109.45 148.94 30.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 108.296 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp85 -126.06 154.15 43.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 110.34 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.8 HG22 ' O ' ' A' ' 63' ' ' ALA . 10.6 m -73.25 -22.09 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HD2' ' CD2' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -77.88 -15.47 59.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.624 ' CD2' ' HD2' ' A' ' 83' ' ' ARG . 1.1 m-85 -110.66 -20.9 12.36 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.873 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -51.91 165.33 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.454 1.096 . . . . 0.0 109.295 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.6 m -131.95 -44.89 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 109.987 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.949 ' HB2' HG12 ' A' ' 32' ' ' VAL . 59.4 t80 -173.8 171.84 3.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.519 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 22.4 ptp -166.48 -160.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 111.035 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.413 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 148.67 156.42 7.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 96' ' ' THR . 71.7 t -84.28 119.48 33.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.491 0.76 . . . . 0.0 109.255 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -53.51 -174.34 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.468 1.105 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -40.63 -64.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 0.775 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.66 161.05 31.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 119' ' ' ALA . 24.0 m -86.0 -9.5 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 1.3 m80 -96.06 18.98 12.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.604 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 90' ' ' VAL . 3.0 p -125.25 136.85 53.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.394 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.438 ' HB2' ' CB ' ' A' ' 119' ' ' ALA . 73.1 t80 -148.84 136.08 20.15 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.524 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -155.44 143.69 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.873 ' HB2' HD21 ' A' ' 85' ' ' LEU . 46.3 p90 -138.01 144.17 40.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 87' ' ' PHE . 20.2 mt -89.48 122.62 41.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.744 ' SD ' HG22 ' A' ' 103' ' ' THR . 2.4 ppp? -115.38 165.94 12.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -116.8 111.43 19.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.744 HG22 ' SD ' ' A' ' 101' ' ' MET . 35.5 p -84.76 7.78 19.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 115.57 150.24 9.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 60.85 -173.28 0.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -72.98 54.92 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.425 ' O ' ' CD1' ' A' ' 108' ' ' PHE . 12.4 mmt180 -129.38 145.33 51.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 107' ' ' ARG . 18.0 m-85 -139.73 137.44 35.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 111.016 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.464 ' OE1' HG21 ' A' ' 103' ' ' THR . 52.2 mt-10 -126.07 136.6 53.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.333 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.506 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 53.4 t -109.72 130.35 55.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 108.333 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 73.7 m-70 -112.97 105.87 14.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.729 HG12 HD13 ' A' ' 23' ' ' LEU . 88.6 t -83.87 142.44 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.3 m-85 -146.76 167.74 23.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.458 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 16.2 t-105 -119.53 111.02 17.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 107.983 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.634 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.8 m -103.69 149.48 24.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 108.293 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.518 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 22.1 mt-10 -137.55 147.76 58.78 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.56 ' O ' ' CD2' ' A' ' 95' ' ' HIS . 18.2 Cg_endo -75.03 -9.3 24.03 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.951 -2.52 . . . . 0.0 110.997 -0.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -154.26 161.98 41.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.456 ' HB3' HG22 ' A' ' 90' ' ' VAL . . . -92.13 28.5 1.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -77.76 -43.3 31.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -75.42 -43.87 47.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 6.1 t -59.99 -67.34 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 109.225 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 30.2 t -43.71 -43.96 6.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.976 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -64.12 -54.53 32.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -51.63 -36.76 47.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.514 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 93.8 t -74.84 -47.01 39.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -60.54 -54.12 49.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.123 . . . . 0.0 110.229 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.16 -30.1 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.531 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -74.12 -50.26 20.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 6.7 t -63.37 -65.79 0.63 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 108.288 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 75.8 p 48.68 89.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 109.968 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 165.87 -107.12 0.28 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.514 1.134 . . . . 0.0 110.96 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 100.29 1.34 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.534 1.807 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.7 t -120.05 -59.11 1.82 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.48 147.37 25.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 0.0 110.002 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.999 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 t -149.09 123.6 9.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 0.78 . . . . 0.0 110.03 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.09 164.15 38.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.993 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.79 121.01 1.17 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.447 1.092 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t -173.28 141.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 110.001 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -172.18 142.12 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.39 78.37 1.41 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.475 1.11 . . . . 0.0 110.977 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 106.49 2.28 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 111.027 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 10.8 t -147.61 137.34 12.15 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.443 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.3 Cg_endo -75.01 55.82 4.07 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.474 1.776 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.36 116.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.5 p -75.43 127.8 33.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 110.378 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -108.44 69.9 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.43 HD23 ' N ' ' A' ' 15' ' ' VAL . 0.5 OUTLIER 61.04 156.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.842 HG22 ' HB2' ' A' ' 61' ' ' ALA . 92.6 t -129.58 147.07 33.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.263 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 58' ' ' MET . 12.5 mt-30 -114.85 109.04 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 mtmt -111.24 124.67 52.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' O ' HG13 ' A' ' 20' ' ' VAL . 73.5 m-85 -126.68 115.78 19.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' NH2' ' OE2' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -65.19 101.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.242 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.481 HG13 ' O ' ' A' ' 18' ' ' PHE . 6.0 m -125.54 158.7 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 55.1 mt-30 -88.35 140.8 29.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.76 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -94.04 100.82 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.901 HD13 HG12 ' A' ' 112' ' ' VAL . 0.9 OUTLIER -64.0 -47.85 78.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.76 -173.74 29.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.441 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 23.2 ttp -120.1 108.25 14.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 0.791 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.479 HD23 ' O ' ' A' ' 27' ' ' PRO . 1.2 tt -107.39 131.11 21.96 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.479 ' O ' HD23 ' A' ' 26' ' ' LEU . 18.0 Cg_endo -75.03 155.61 42.77 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.502 1.791 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 18.1 m -141.07 140.59 32.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -72.65 -45.33 59.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.161 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -86.5 132.47 42.68 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.263 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -19.53 17.69 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.518 1.799 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.2 m -132.28 172.81 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 114.04 135.6 6.12 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.509 1.131 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.3 mtp -81.86 -39.23 24.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 0.0 110.963 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.59 -62.18 1.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.8 m -54.37 -43.71 71.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 89' ' ' GLY . 5.3 tp -49.5 -59.03 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 60.4 m-80 -63.16 -54.69 33.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -40.58 -48.77 2.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.999 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.26 -52.53 64.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 87.3 mt -50.92 -65.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.61 ' O ' HG23 ' A' ' 46' ' ' THR . 10.3 mt-10 -39.08 -40.26 0.67 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.426 ' HB3' HD13 ' A' ' 26' ' ' LEU . 2.0 t-20 -61.2 -62.32 1.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.329 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.6 mt -54.57 -45.6 73.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.37 -57.5 1.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.16 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 42' ' ' GLU . 11.8 p -73.26 -36.87 66.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.0 t -41.99 -73.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.2 m -107.05 150.54 26.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.552 1.157 . . . . 0.0 109.979 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.441 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 73.8 m -63.93 174.44 1.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.596 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 23.3 tttm -68.77 -53.38 22.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.92 -35.2 79.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.15 -26.33 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.596 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 10.1 m0 -73.61 124.42 90.32 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.028 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 145.06 31.15 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 110.967 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.53 103.27 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.018 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.401 HG12 ' CD1' ' A' ' 77' ' ' LEU . 13.1 m -112.37 161.51 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -113.42 133.91 54.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 16' ' ' GLN . 21.2 tpp -92.76 100.15 12.69 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -80.66 132.41 35.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.476 HG22 HG22 ' A' ' 65' ' ' VAL . 93.5 t -135.91 110.34 10.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.842 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -142.78 141.36 31.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 1.7 t70 66.24 -70.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.279 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.753 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 178.3 36.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.507 HG23 ' HG3' ' A' ' 81' ' ' ARG . 24.6 m -127.09 149.9 49.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.477 HG21 HG13 ' A' ' 126' ' ' VAL . 4.9 t -118.01 100.64 10.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.402 ' CG2' ' CG2' ' A' ' 76' ' ' VAL . 42.4 m -110.69 125.15 53.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.376 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.1 t -87.23 105.93 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.3 mt -98.04 151.99 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.2 t -73.84 158.55 34.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' OE2' ' NH2' ' A' ' 19' ' ' ARG . 4.3 tt0 -65.5 -47.5 75.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 68.11 1.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.234 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 165.0 135.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 109.316 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -107.13 -11.64 15.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.318 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -105.44 -24.87 12.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.127 . . . . 0.0 110.312 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -71.55 107.79 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.574 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -104.95 92.48 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.401 ' CD1' HG12 ' A' ' 56' ' ' VAL . 12.1 mt -49.65 -55.11 14.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.76 HG21 ' OH ' ' A' ' 22' ' ' TYR . 13.5 t -133.1 150.31 32.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -131.66 99.08 4.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.261 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.504 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 63.8 m -111.62 143.48 42.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 108.338 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.507 ' HG3' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -117.47 149.44 40.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.753 HG21 ' HB1' ' A' ' 63' ' ' ALA . 18.5 m -61.59 -33.71 58.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.416 ' HD2' ' CG ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -66.22 -33.88 76.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.293 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.416 ' CG ' ' HD2' ' A' ' 83' ' ' ARG . 1.6 m-85 -85.12 -18.97 32.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.97 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.889 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -63.65 143.51 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.283 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.11 -32.47 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.602 ' CE1' ' O ' ' A' ' 88' ' ' MET . 36.7 t80 -177.87 170.59 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.602 ' O ' ' CE1' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -164.06 -148.85 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.666 ' O ' HD21 ' A' ' 37' ' ' LEU . . . 130.97 153.38 7.6 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.3 t -74.14 149.18 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -83.7 -174.7 50.54 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.7 mmmt -43.41 -50.4 6.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 0.742 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.87 155.69 19.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 119' ' ' ALA . 19.3 m -81.8 -7.22 10.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.497 ' CD2' ' O ' ' A' ' 117' ' ' PRO . 0.5 OUTLIER -101.57 18.65 19.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.639 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.5 p -128.17 131.71 48.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 0.0 110.405 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -136.57 139.93 42.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.575 ' O ' HD11 ' A' ' 37' ' ' LEU . . . -152.62 141.29 20.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.889 ' HB2' HD21 ' A' ' 85' ' ' LEU . 6.5 p90 -137.53 140.73 41.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.135 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.515 ' O ' HD23 ' A' ' 85' ' ' LEU . 64.8 mt -88.02 133.9 29.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.504 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 25.5 ptm -119.37 165.01 14.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.971 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.7 102.95 8.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.0 p -87.68 -4.74 58.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 110.417 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.415 ' O ' ' HB2' ' A' ' 105' ' ' ASN . . . 96.6 160.06 32.0 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' GLN . 3.6 m-20 66.78 58.97 0.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.256 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' ASN . 2.1 mt-30 35.64 41.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.38 128.36 54.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.266 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -129.29 131.62 47.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -118.7 138.82 52.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.316 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.46 ' SG ' ' HB1' ' A' ' 98' ' ' ALA . 16.5 t -115.18 108.37 16.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.555 1.16 . . . . 0.0 108.249 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 80.4 m-70 -88.79 112.09 22.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.565 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.901 HG12 HD13 ' A' ' 23' ' ' LEU . 92.0 t -88.23 141.02 14.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.0 m-85 -146.17 164.94 30.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.99 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.428 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 7.7 t-105 -122.05 113.48 19.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.2 m -108.6 152.73 24.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 108.269 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.516 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 38.2 mt-10 -138.79 150.8 66.88 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.4 Cg_endo -75.0 -9.63 24.01 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.986 -2.506 . . . . 0.0 111.021 0.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 5.4 p30 -154.88 155.95 35.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.435 ' N ' ' O ' ' A' ' 94' ' ' VAL . . . -91.02 37.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.122 . . . . 0.0 109.297 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -86.04 -36.59 19.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -81.37 -38.44 26.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 12.4 t -65.76 -64.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.9 t -47.03 -40.69 15.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 110.002 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -66.58 -55.55 14.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -50.38 -42.88 54.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.678 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 87.3 t -67.45 -51.82 48.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.418 ' C ' ' N ' ' A' ' 129' ' ' ALA . 0.8 OUTLIER -56.81 -57.62 11.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -44.67 -26.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.678 ' HB3' ' O ' ' A' ' 126' ' ' VAL . . . -72.84 -54.91 7.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 51.4 t -56.89 -55.72 30.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 108.262 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 41.14 88.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -154.45 -163.99 12.46 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.25 1.45 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.455 1.766 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 27.8 t -137.98 -58.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.964 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 67.9 m 43.21 79.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -155.49 170.47 21.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 0.777 . . . . 0.0 110.019 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.56 168.29 3.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 109.985 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.19 -173.27 12.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.9 m -165.8 168.72 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 0.0 109.96 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -169.46 168.0 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.99 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.83 -160.28 9.78 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 171.74 17.73 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.504 1.792 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.0 p -132.07 113.32 14.78 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -171.38 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.447 1.762 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 165.08 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.3 p -126.99 175.9 7.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.363 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.9 172.97 8.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -49.91 156.04 0.8 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.916 HG22 ' HB2' ' A' ' 61' ' ' ALA . 70.1 t -135.12 140.53 44.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 25.2 mt-30 -117.31 109.48 16.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.566 ' HD3' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -103.04 129.17 49.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.274 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' HB3' ' A' ' 16' ' ' GLN . 91.5 m-85 -124.8 111.75 15.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.17 100.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 115' ' ' CYS . 34.4 m -129.48 160.89 39.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 47.7 mt-30 -88.75 154.85 19.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.486 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.8 OUTLIER -107.27 101.33 10.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.743 HD13 HG12 ' A' ' 112' ' ' VAL . 2.5 mp -65.23 -43.01 92.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 138.59 168.2 11.21 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.417 ' CG ' ' HB3' ' A' ' 109' ' ' GLU . 13.6 tmm? -93.66 137.8 32.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.402 ' N ' ' SD ' ' A' ' 25' ' ' MET . 0.7 OUTLIER -135.93 128.29 17.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 155.62 43.14 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 19.4 m -148.69 133.82 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.26 -44.73 82.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.323 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.92 118.63 72.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.506 ' HB3' ' CE1' ' A' ' 108' ' ' PHE . 18.3 Cg_endo -75.01 -9.27 20.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.5 HG12 ' HB2' ' A' ' 87' ' ' PHE . 19.5 m -146.33 147.44 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.249 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 139.03 145.3 4.73 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.461 1.1 . . . . 0.0 110.967 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -86.47 -43.35 12.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 0.784 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.23 -65.36 0.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -50.17 -43.89 52.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.572 1.17 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 tp -50.52 -67.9 0.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.401 ' OD1' ' N ' ' A' ' 92' ' ' LYS . 45.5 m-80 -50.86 -49.43 59.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.36 -50.91 6.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.019 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -54.53 -61.62 2.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 99.6 mt -44.98 -63.85 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -49.69 -34.46 18.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.302 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -60.85 -55.7 29.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.6 mt -56.98 -57.75 11.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.4 ' O ' ' N ' ' A' ' 47' ' ' SER . 0.1 OUTLIER -40.54 -63.38 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 111.013 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.7 p -69.97 59.87 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 110.393 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 45' ' ' MET . 22.9 t -167.33 -73.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.001 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -90.17 166.04 13.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.011 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.537 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 2.5 m -81.31 177.95 8.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.998 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 9.9 tttt -83.68 -50.48 8.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -67.25 -26.03 66.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.301 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -58.68 -23.48 59.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.568 ' CD1' ' HA ' ' A' ' 23' ' ' LEU . 9.6 m0 -76.12 128.17 83.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 107.975 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.38 25.27 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.34 102.42 5.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.0 m -112.03 173.35 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.123 . . . . 0.0 109.275 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 66.4 m-80 -119.11 141.99 48.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 7.9 tpp -102.53 101.32 11.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.2 t-20 -80.62 135.87 36.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.7 t -135.34 106.19 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.916 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -159.62 166.85 29.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.6 t0 41.71 33.82 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.649 ' HB1' HG21 ' A' ' 82' ' ' VAL . . . 55.62 54.77 7.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 80' ' ' CYS . 5.7 m -145.02 158.73 43.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' CYS . 4.6 t -124.78 100.48 7.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.477 1.11 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.411 ' CG2' HG23 ' A' ' 76' ' ' VAL . 95.6 m -113.45 129.79 56.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.389 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.4 t -92.07 102.51 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.52 HD13 ' O ' ' A' ' 73' ' ' GLU . 11.1 mt -96.27 147.18 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 30.9 t -73.28 165.53 24.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -82.24 -35.59 28.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.6 -75.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.74 171.11 9.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.52 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -110.46 -18.53 13.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 110.284 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.444 ' N ' ' OE1' ' A' ' 73' ' ' GLU . 2.6 pt-20 -88.66 -22.41 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.59 108.43 3.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.583 ' O ' HG22 ' A' ' 76' ' ' VAL . 0.2 OUTLIER -106.73 92.55 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.6 mt -50.69 -56.28 12.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.486 HG21 ' OH ' ' A' ' 22' ' ' TYR . 3.4 t -126.58 149.61 31.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -130.52 95.07 3.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.458 ' SG ' ' CE ' ' A' ' 101' ' ' MET . 84.8 m -112.65 150.44 31.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 108.304 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.571 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 51.6 mtt85 -122.17 -174.5 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 110.323 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.649 HG21 ' HB1' ' A' ' 63' ' ' ALA . 23.5 m -98.91 -27.07 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.44 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -75.22 -16.67 60.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.571 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 21.7 m-85 -110.48 -0.22 17.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 111.052 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.849 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.96 152.87 39.99 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.39 -41.12 2.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.977 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.513 ' CD1' ' N ' ' A' ' 88' ' ' MET . 26.8 t80 -176.61 169.26 2.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.513 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 18.7 ptp -169.01 -160.31 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.432 ' N ' ' HG3' ' A' ' 88' ' ' MET . . . 147.61 -164.14 28.78 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 119' ' ' ALA . 77.2 t -116.54 121.35 67.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.458 0.74 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -54.5 -176.86 0.13 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.481 1.113 . . . . 0.0 110.966 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.401 ' N ' ' OD1' ' A' ' 38' ' ' ASN . 12.2 mmmt -40.38 -61.93 0.84 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.434 0.726 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -74.24 152.92 39.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 109.316 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 119' ' ' ALA . 21.4 m -78.35 -5.59 8.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.554 ' O ' ' CE3' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -103.2 43.31 1.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.602 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 93' ' ' ASP . 16.6 p -151.4 132.14 14.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.566 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 50.8 t80 -141.8 124.05 15.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.642 ' HB2' ' HA ' ' A' ' 112' ' ' VAL . . . -143.1 152.42 41.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.849 ' HB2' HD21 ' A' ' 85' ' ' LEU . 32.0 p90 -143.05 141.37 31.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.459 ' CG2' ' HB3' ' A' ' 108' ' ' PHE . 17.2 mt -88.58 114.93 27.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.458 ' CE ' ' SG ' ' A' ' 80' ' ' CYS . 24.5 ptm -98.09 161.35 13.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.06 102.0 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 75.4 p -70.41 -61.85 1.61 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.505 ' O ' ' CB ' ' A' ' 105' ' ' ASN . . . 158.9 159.48 9.7 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' A' ' 106' ' ' GLN . 2.8 t-20 81.93 -60.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.555 ' CG ' ' O ' ' A' ' 105' ' ' ASN . 4.0 mt-30 161.4 48.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.84 143.22 50.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.506 ' CE1' ' HB3' ' A' ' 31' ' ' PRO . 34.7 m-85 -134.47 116.56 15.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.092 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.417 ' HB3' ' CG ' ' A' ' 25' ' ' MET . 65.2 mt-10 -106.18 129.28 54.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 6.9 t -104.59 109.5 21.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 108.288 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.482 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 78.3 m-70 -90.46 102.48 15.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.606 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.743 HG12 HD13 ' A' ' 23' ' ' LEU . 73.4 t -82.65 144.86 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.482 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 91.9 m-85 -146.99 162.75 38.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.14 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.554 ' CE3' ' O ' ' A' ' 95' ' ' HIS . 32.8 t-105 -115.06 111.42 21.06 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.473 ' HA ' HG12 ' A' ' 20' ' ' VAL . 3.1 m -109.71 145.18 37.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.301 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.534 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 2.7 mt-10 -132.09 147.25 65.08 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.3 Cg_endo -75.01 -35.37 2.94 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 121.016 -2.493 . . . . 0.0 110.974 0.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -124.02 156.7 36.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.566 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -89.33 41.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.94 -51.09 5.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -58.84 -49.27 78.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.596 ' O ' HG23 ' A' ' 126' ' ' VAL . 21.1 t -59.9 -66.66 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.472 ' HA ' ' CE1' ' A' ' 97' ' ' PHE . 21.2 t -45.12 -37.85 4.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.985 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -69.35 -57.75 4.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.296 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.08 -29.67 22.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.596 HG23 ' O ' ' A' ' 122' ' ' VAL . 84.2 t -77.6 -56.56 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.401 ' C ' ' N ' ' A' ' 129' ' ' ALA . 2.1 mt-30 -54.69 -46.11 74.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -40.34 -32.55 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.092 . . . . 0.0 109.314 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.616 ' CB ' HG11 ' A' ' 82' ' ' VAL . . . -80.97 -55.45 4.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 1.16 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 15.5 t -46.9 -48.93 21.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 108.338 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.23 -48.62 75.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 84.53 149.99 11.12 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 66.46 6.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.25 157.61 43.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 11.9 t -93.51 129.91 39.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.46 1.1 . . . . 0.0 111.026 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 p -178.79 126.63 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 110.042 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.59 170.75 9.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.955 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.49 -142.93 4.63 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.496 1.123 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.63 169.48 1.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 110.024 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -176.8 149.73 0.76 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.022 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.09 122.42 1.65 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 174.72 12.3 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.442 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 12.9 t -120.11 136.77 25.26 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.375 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 9' ' ' THR . 18.4 Cg_endo -74.98 175.78 10.78 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.15 -80.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 87.1 m 65.85 120.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 60.42 147.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.57 147.85 30.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.935 HG22 ' HB2' ' A' ' 61' ' ' ALA . 53.4 t -119.0 150.62 21.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -122.67 110.08 15.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.274 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -105.43 130.17 53.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -129.28 115.86 18.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.03 99.94 0.39 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' VAL . 13.7 m -124.81 154.85 32.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -88.24 144.3 26.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.312 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -94.96 102.97 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.63 HD13 HG12 ' A' ' 112' ' ' VAL . 0.6 OUTLIER -68.12 -43.23 78.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.588 ' O ' HD11 ' A' ' 44' ' ' LEU . . . 142.4 156.38 6.77 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.466 ' CE ' ' HG2' ' A' ' 109' ' ' GLU . 26.2 ttp -94.42 107.22 19.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 0.806 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.428 HD23 ' HD2' ' A' ' 27' ' ' PRO . 0.3 OUTLIER -105.91 141.43 22.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.26 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.428 ' HD2' HD23 ' A' ' 26' ' ' LEU . 18.2 Cg_endo -75.01 169.05 23.47 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.483 1.78 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG13 ' C ' ' A' ' 27' ' ' PRO . 20.8 m -152.26 166.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.74 -41.8 4.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.05 118.58 63.57 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.132 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.3 Cg_endo -75.0 -5.54 16.92 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.54 1.81 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG13 ' C ' ' A' ' 31' ' ' PRO . 16.4 m -152.16 154.34 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 35' ' ' ASP . . . 137.19 -16.06 3.67 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 111.047 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 68.02 -59.49 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.937 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.9 OUTLIER -39.71 -55.42 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 m -60.43 -40.31 90.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.405 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.687 HD12 HG13 ' A' ' 100' ' ' ILE . 0.7 OUTLIER -54.93 -54.45 42.57 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -62.44 -51.67 66.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.1 t -40.43 -45.41 2.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.72 -53.3 59.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.431 HG12 HG13 ' A' ' 112' ' ' VAL . 95.8 mt -53.97 -65.12 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -42.25 -42.13 2.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.1 t30 -56.57 -59.76 4.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.588 HD11 ' O ' ' A' ' 24' ' ' GLY . 10.7 mt -51.87 -51.93 53.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -41.28 -64.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 34.2 p -72.28 58.33 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.098 . . . . 0.0 110.404 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.59 -71.48 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.3 m -99.32 150.93 21.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.431 ' O ' ' CE2' ' A' ' 53' ' ' TRP . 3.2 m -70.38 175.42 4.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.024 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HA ' ' CE3' ' A' ' 53' ' ' TRP . 17.9 tttm -73.56 -49.46 26.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -65.5 -35.83 82.03 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 110.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -49.05 -28.68 4.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.587 ' CE3' ' HA ' ' A' ' 50' ' ' LYS . 7.8 m0 -73.14 125.51 90.9 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.474 1.109 . . . . 0.0 108.04 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 137.69 22.14 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.43 102.66 3.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.949 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' ' N ' ' A' ' 20' ' ' VAL . 12.7 m -112.9 168.57 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -114.37 138.23 50.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.51 ' SD ' HG13 ' A' ' 122' ' ' VAL . 58.6 ttm -100.74 104.52 15.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.105 . . . . 0.0 111.024 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' OD1' ' N ' ' A' ' 60' ' ' VAL . 26.0 t-20 -80.64 136.36 36.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.595 HG11 ' O ' ' A' ' 125' ' ' ALA . 48.3 t -133.85 109.56 13.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.935 ' HB2' HG22 ' A' ' 15' ' ' VAL . . . -164.27 166.3 21.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 61' ' ' ALA . 13.1 t0 40.23 35.23 0.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 109.268 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.872 ' HA ' ' HB1' ' A' ' 129' ' ' ALA . . . 53.39 55.6 8.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 80' ' ' CYS . 19.2 m -144.88 157.15 44.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.394 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 65' ' ' VAL . 3.7 t -122.32 99.61 7.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.583 HG22 HG23 ' A' ' 76' ' ' VAL . 29.3 m -111.88 119.85 39.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.424 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.417 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 59.6 t -85.64 106.51 15.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.555 1.159 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.2 mt -99.63 159.77 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 40.7 t -85.18 166.08 16.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.971 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -88.11 -34.78 17.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.319 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 mptt -65.41 -51.99 56.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -115.41 167.25 11.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -109.6 -17.1 13.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -100.07 10.3 41.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.271 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -97.41 74.62 2.48 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.583 HG23 HG22 ' A' ' 66' ' ' THR . 1.6 p -73.41 97.76 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 67' ' ' VAL . 6.9 mt -60.55 -46.18 91.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 2.8 t -139.0 150.35 23.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.255 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -133.33 97.35 3.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.54 ' O ' HG23 ' A' ' 64' ' ' THR . 0.4 OUTLIER -111.81 151.09 29.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 108.294 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.577 ' HD2' ' CE2' ' A' ' 84' ' ' PHE . 46.4 mtt180 -123.98 168.99 12.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.686 HG21 ' HB1' ' A' ' 63' ' ' ALA . 13.4 m -83.44 -28.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.427 ' HG2' ' N ' ' A' ' 84' ' ' PHE . 0.0 OUTLIER -75.25 -16.24 60.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.577 ' CE2' ' HD2' ' A' ' 81' ' ' ARG . 17.7 m-85 -110.61 -1.92 16.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.733 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -76.12 154.21 35.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 25.5 m -117.76 -36.49 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.132 . . . . 0.0 109.956 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.607 ' CE2' ' O ' ' A' ' 88' ' ' MET . 40.2 t80 -178.4 173.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.607 ' O ' ' CE2' ' A' ' 87' ' ' PHE . 0.0 OUTLIER -162.84 -150.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 111.02 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 130.9 156.28 8.51 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 96' ' ' THR . 69.2 t -81.08 133.1 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.748 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.67 -171.96 2.15 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.528 1.142 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -43.54 -64.08 0.72 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.326 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.58 163.28 28.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.308 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.415 ' O ' ' N ' ' A' ' 119' ' ' ALA . 35.0 m -85.32 -8.77 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 114' ' ' TRP . 0.1 OUTLIER -99.39 17.1 21.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.607 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.605 ' O ' HG13 ' A' ' 90' ' ' VAL . 4.7 p -122.58 129.65 52.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 110.375 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.557 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 47.3 t80 -140.02 127.07 20.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -142.43 145.48 33.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.733 ' HB2' HD21 ' A' ' 85' ' ' LEU . 6.9 p90 -132.75 140.0 47.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.687 HG13 HD12 ' A' ' 37' ' ' LEU . 41.8 mt -89.72 126.84 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.546 ' HE2' HG22 ' A' ' 103' ' ' THR . 26.4 ptm -120.12 165.18 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -123.08 109.15 13.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.546 HG22 ' HE2' ' A' ' 101' ' ' MET . 32.1 p -100.9 -59.79 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.418 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.42 -144.53 0.93 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.462 1.101 . . . . 0.0 111.019 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -85.36 -77.93 0.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 109.312 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -105.19 17.77 23.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.293 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -94.95 152.53 18.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 110.284 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.401 ' HA ' ' O ' ' A' ' 101' ' ' MET . 25.7 m-85 -139.87 149.28 43.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.466 ' HG2' ' CE ' ' A' ' 25' ' ' MET . 18.7 mt-10 -128.32 135.88 50.2 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -112.95 112.28 23.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 108.272 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 113' ' ' PHE . 81.4 m-70 -93.76 105.74 17.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.566 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.63 HG12 HD13 ' A' ' 23' ' ' LEU . 87.4 t -82.38 142.72 13.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 111' ' ' HIS . 91.8 m-85 -146.85 161.17 41.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.121 . . . . 0.0 110.995 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . 0.426 ' CZ2' ' HB2' ' A' ' 95' ' ' HIS . 27.9 t-105 -114.57 111.52 21.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 108.02 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.415 ' O ' ' HA ' ' A' ' 95' ' ' HIS . 3.4 m -109.63 143.51 39.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 108.35 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.511 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 1.5 mt-10 -131.6 149.28 73.05 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.324 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.511 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.02 -26.28 9.41 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 121.02 -2.492 . . . . 0.0 110.997 0.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -134.91 156.87 48.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.557 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -90.15 39.14 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.42 -41.99 11.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -72.44 -42.65 64.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.51 HG13 ' SD ' ' A' ' 58' ' ' MET . 2.8 t -63.36 -66.43 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 12.4 t -45.14 -37.78 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.016 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.38 -58.51 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.595 ' O ' HG11 ' A' ' 60' ' ' VAL . . . -51.76 -22.79 3.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.602 ' O ' ' HB3' ' A' ' 129' ' ' ALA . 72.2 t -91.16 -45.73 14.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 0.0 109.279 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.451 ' NE2' ' SD ' ' A' ' 88' ' ' MET . 2.2 mm-40 -64.39 -54.91 25.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.272 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -53.08 -21.23 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.268 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.872 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -73.33 -52.77 12.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 45.3 t -62.09 -51.93 65.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 108.347 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 90.4 p 40.09 90.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.013 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -58.65 174.51 2.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.505 1.128 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 62.55 5.82 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.464 1.771 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.8 m 61.73 127.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.042 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.1 m -89.08 -61.78 1.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 111.065 179.93 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -138.27 112.96 8.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 0.753 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -135.21 129.94 34.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.997 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.77 115.18 1.74 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.547 1.154 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.87 79.68 2.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 0.0 109.977 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.5 m -126.81 166.09 18.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.84 148.78 19.39 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.458 1.099 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 64.2 6.07 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.528 1.804 . . . . 0.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 p -146.37 113.65 4.44 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.362 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -12.79 21.5 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.92 167.48 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' HG23 ' A' ' 12' ' ' THR . 7.2 t -135.53 105.21 6.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 110.426 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -173.8 125.61 0.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.13 133.64 35.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.349 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.597 HG21 ' ND2' ' A' ' 59' ' ' ASN . 1.7 m -75.56 163.35 4.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -104.27 109.32 21.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 110.311 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.3 mtmt -109.57 123.03 48.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.432 ' O ' HG13 ' A' ' 20' ' ' VAL . 81.8 m-85 -123.76 118.72 27.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.01 99.9 0.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.267 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 18' ' ' PHE . 9.9 m -125.37 157.99 34.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' TRP . 54.3 mt-30 -88.69 154.83 19.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.666 ' OH ' HG21 ' A' ' 78' ' ' VAL . 0.7 OUTLIER -106.92 103.26 12.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.775 HD13 HG12 ' A' ' 112' ' ' VAL . 1.9 mp -67.49 -47.32 70.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 149.34 -176.32 28.13 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.494 1.121 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.517 ' HG3' ' CE1' ' A' ' 111' ' ' HIS . 11.7 ttp -114.93 114.9 26.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 0.753 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.73 128.21 25.69 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.417 ' C ' HG13 ' A' ' 28' ' ' VAL . 18.3 Cg_endo -75.01 156.12 42.91 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG13 ' C ' ' A' ' 27' ' ' PRO . 14.7 m -151.48 148.54 14.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -87.23 -43.4 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.48 119.04 75.14 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.501 ' HA ' HG21 ' A' ' 100' ' ' ILE . 18.4 Cg_endo -74.98 -8.59 20.23 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.535 HG12 ' HB2' ' A' ' 87' ' ' PHE . 18.3 m -142.48 155.21 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.81 114.58 2.29 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.5 1.125 . . . . 0.0 111.013 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' MET . . . . . . . . . . . . . 1.6 mtp -63.14 -39.17 93.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 0.0 111.054 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.27 -67.16 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.1 m -52.45 -46.52 66.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.371 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tp -51.15 -68.41 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 109.333 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -47.94 -39.36 19.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.66 -36.96 85.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.049 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.44 -32.25 72.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.547 HG12 HG13 ' A' ' 112' ' ' VAL . 10.1 mt -69.71 -70.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.528 ' N ' HG22 ' A' ' 41' ' ' ILE . 5.6 pt-20 -37.61 -47.1 0.92 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.505 ' N ' ' CG ' ' A' ' 42' ' ' GLU . 3.9 t-20 -59.69 -54.68 43.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.5 ' HA ' HD23 ' A' ' 44' ' ' LEU . 6.2 mt -64.92 -14.07 58.84 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.552 ' HG2' HD21 ' A' ' 23' ' ' LEU . 51.2 mtp -90.06 -42.37 11.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.489 HG22 ' O ' ' A' ' 42' ' ' GLU . 4.6 t -79.95 -10.56 59.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.42 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 28.3 t -72.58 -81.8 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.0 m -90.54 172.21 8.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.0 m -81.14 167.91 19.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.987 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.587 ' HA ' ' CZ3' ' A' ' 53' ' ' TRP . 8.5 tttm -64.53 -55.64 19.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -65.49 -30.7 71.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.0 -22.08 9.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.587 ' CZ3' ' HA ' ' A' ' 50' ' ' LYS . 7.5 m0 -77.49 127.22 83.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 140.24 25.17 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.519 1.8 . . . . 0.0 111.002 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.76 102.29 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.998 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.3 m -110.72 176.18 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 62.5 m-20 -119.32 141.14 49.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.279 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.436 ' SD ' HG22 ' A' ' 67' ' ' VAL . 9.1 tpp -106.82 98.19 7.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.597 ' ND2' HG21 ' A' ' 15' ' ' VAL . 44.5 t-20 -80.76 140.52 35.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.432 ' N ' ' OD1' ' A' ' 59' ' ' ASN . 44.1 t -133.6 108.74 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.132 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.494 ' HB2' HG12 ' A' ' 15' ' ' VAL . . . -158.19 165.13 35.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 61' ' ' ALA . 16.2 t0 40.38 42.01 1.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.336 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.725 ' HA ' ' HB1' ' A' ' 129' ' ' ALA . . . 48.79 53.26 12.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 80' ' ' CYS . 23.7 m -146.42 155.08 42.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.38 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.498 HG21 HG13 ' A' ' 126' ' ' VAL . 2.7 t -120.3 99.64 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.471 ' CG2' HG23 ' A' ' 76' ' ' VAL . 69.5 m -107.83 119.55 39.77 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.529 1.143 . . . . 0.0 110.419 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.436 HG22 ' SD ' ' A' ' 58' ' ' MET . 61.4 t -85.48 106.16 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.1 mt -101.06 151.53 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 109.316 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 31.1 t -68.55 157.1 36.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -68.74 -48.85 62.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.83 64.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 166.4 113.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.04 62.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.466 ' O ' ' N ' ' A' ' 76' ' ' VAL . 0.3 OUTLIER -178.1 -36.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.7 tt0 -65.87 69.99 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.471 HG23 ' CG2' ' A' ' 66' ' ' THR . 1.5 p -62.81 100.52 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 mt -60.69 -46.99 88.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.666 HG21 ' OH ' ' A' ' 22' ' ' TYR . 20.1 t -143.02 143.43 25.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -124.2 98.06 5.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.617 ' O ' HG23 ' A' ' 64' ' ' THR . 4.3 t -100.0 146.03 27.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 1.161 . . . . 0.0 108.312 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -125.5 131.35 52.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.157 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 63' ' ' ALA . 3.6 m -59.95 -18.53 15.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.99 -20.53 38.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -107.84 -3.4 19.01 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.793 HD21 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -73.17 152.35 41.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.28 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.3 m -117.17 -35.56 4.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.603 ' CD1' ' N ' ' A' ' 88' ' ' MET . 35.4 t80 -177.52 168.53 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.991 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.603 ' N ' ' CD1' ' A' ' 87' ' ' PHE . 19.8 ptp -169.23 -164.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 147.39 176.08 20.76 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.49 1.119 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 96' ' ' THR . 99.2 t -94.09 138.25 20.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.503 0.767 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -69.79 -175.66 15.26 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -42.05 -57.32 2.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 0.75 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.52 151.64 30.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 118' ' ' ASN . 25.1 m -77.48 -6.79 9.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.83 39.51 1.53 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.605 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.563 ' O ' HG13 ' A' ' 90' ' ' VAL . 12.2 p -151.23 128.08 10.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 110.409 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.668 ' HB2' ' HB1' ' A' ' 119' ' ' ALA . 27.3 t80 -133.97 133.68 41.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -147.58 152.58 38.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.793 ' HB2' HD21 ' A' ' 85' ' ' LEU . 8.7 p90 -146.41 143.06 28.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.566 ' O ' HD23 ' A' ' 85' ' ' LEU . 50.8 mt -88.47 126.91 41.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.412 ' O ' ' HA ' ' A' ' 108' ' ' PHE . 26.4 ptm -124.56 163.13 22.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -112.68 132.27 55.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.1 p -119.72 -55.44 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.388 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -107.83 -151.31 16.44 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.477 1.111 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -93.31 133.64 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 0.795 . . . . 0.0 109.318 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 49.23 22.02 0.6 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.3 mmt-85 -115.5 139.31 50.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.412 ' HA ' ' O ' ' A' ' 101' ' ' MET . 19.5 m-85 -139.6 134.87 32.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.481 ' CD ' ' CE ' ' A' ' 25' ' ' MET . 46.3 mm-40 -114.28 152.02 32.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.118 . . . . 0.0 110.352 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 t -126.39 112.35 15.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.296 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.554 ' HB3' ' CE2' ' A' ' 113' ' ' PHE . 63.9 m-70 -94.17 113.96 25.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.637 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.775 HG12 HD13 ' A' ' 23' ' ' LEU . 89.3 t -91.6 143.33 11.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.554 ' CE2' ' HB3' ' A' ' 111' ' ' HIS . 95.7 m-85 -146.75 163.1 37.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TRP . . . . . . . . . . . . . 5.1 t-105 -118.11 122.54 43.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . . . . . . . . . 3.0 m -124.55 142.31 51.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 108.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.535 ' HA ' ' C ' ' A' ' 117' ' ' PRO . 3.2 mt-10 -124.2 146.5 51.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 116' ' ' GLU . 18.2 Cg_endo -75.05 -44.52 0.55 Allowed 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.03 -2.488 . . . . 0.0 110.948 0.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . 0.402 ' HA ' ' O ' ' A' ' 94' ' ' VAL . 1.2 p30 -117.88 151.2 37.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.668 ' HB1' ' HB2' ' A' ' 97' ' ' PHE . . . -88.14 44.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -90.92 -52.79 4.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -57.81 -49.94 74.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.9 t -57.75 -68.24 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.9 t -43.82 -40.63 4.55 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 109.975 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.7 -55.04 14.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.18 -34.31 44.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.498 HG13 HG21 ' A' ' 65' ' ' VAL . 69.1 t -74.81 -48.02 35.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -62.08 -50.26 72.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -50.79 -26.85 6.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.725 ' HB1' ' HA ' ' A' ' 63' ' ' ALA . . . -75.39 -41.73 55.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 29.8 t -73.46 -64.82 0.91 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 108.279 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.0 t 69.04 106.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.023 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -126.65 -176.95 14.67 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.47 1.106 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 138.97 23.68 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.38 -57.81 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 75.3 p -119.83 123.29 43.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.538 1.149 . . . . 0.0 111.011 179.988 . . . . . . . . 0 0 . 1 stop_ save_