data_1xne_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 1xne _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 ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.495 0.188 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -105.72 158.96 16.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.452 HG13 ' CG1' ' A' ' 42' ' ' ILE . 77.5 t -119.02 128.41 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.479 ' CG ' HD13 ' A' ' 35' ' ' ILE . 6.1 m-85 -118.06 102.4 9.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -78.33 104.18 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.83 122.25 46.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -85.31 116.94 23.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -119.63 174.71 6.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.92 150.19 21.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.81 -32.45 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.07 -54.6 35.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.3 m-30 -72.66 -45.25 59.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.9 -43.0 65.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -46.38 -48.52 18.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.431 ' HE3' ' CG ' ' A' ' 74' ' ' PRO . 1.4 mpt? -56.98 -41.58 78.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.431 HG23 ' CD ' ' A' ' 21' ' ' LYS . 92.2 t -64.15 -37.28 79.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -64.83 -40.68 95.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -34.9 74.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.28 -12.8 26.13 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.83 -33.67 50.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.431 ' CD ' HG23 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -84.4 109.74 18.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.73 -43.41 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.85 118.48 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -100.94 111.24 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -98.25 129.53 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -173.93 147.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 m -40.56 121.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.39 -84.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER 56.49 160.21 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.95 164.95 32.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 83.77 -9.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -138.7 -59.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -48.57 -29.64 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -34.69 72.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.479 HD13 ' CG ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -40.34 154.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.27 173.89 15.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -66.78 140.68 57.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.2 -24.7 30.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -72.1 -175.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 12.4 ttpt -137.47 144.48 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.421 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 94.4 mt -124.7 125.99 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.452 ' CG1' HG13 ' A' ' 3' ' ' VAL . 2.7 mm -104.12 111.38 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -88.06 126.59 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 m120 60.6 15.77 5.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 49.13 62.65 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.96 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.4 mt -109.07 110.7 60.69 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.03 41.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.08 146.48 26.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -109.05 137.93 46.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.5 t -72.21 116.53 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.7 t -78.82 -51.18 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -165.11 146.09 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -118.45 129.98 73.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 139.02 34.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -110.99 146.53 36.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HB3' ' CG ' ' A' ' 62' ' ' GLN . 16.3 m-85 -154.55 -170.88 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 6.8 pt-20 -136.06 147.48 47.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.6 m 69.14 124.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 18.8 p90 -48.83 -35.03 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.521 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -56.52 -35.58 68.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.472 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 22.8 tp60 -62.0 -55.43 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.439 ' CG2' HG12 ' A' ' 100' ' ' VAL . 9.1 t -61.24 -32.53 53.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.401 ' HG ' ' CG1' ' A' ' 69' ' ' ILE . 5.7 mp -74.7 -24.96 58.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.33 -45.24 20.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -51.59 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -98.85 147.37 33.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.3 14.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 3.4 mt -101.21 -34.29 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.14 -29.75 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -86.19 -60.03 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 89.9 mt -47.16 -39.93 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.54 141.05 37.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.431 ' CG ' ' HE3' ' A' ' 15' ' ' MET . 18.2 Cg_endo -75.06 -42.51 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.69 -17.02 19.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 pttt 43.4 65.79 5.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.799 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -95.09 153.09 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -47.1 -40.42 15.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -38.15 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -37.09 81.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.06 86.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -45.52 92.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -69.6 -47.76 62.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -48.23 -45.7 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.439 HG12 ' CG2' ' A' ' 63' ' ' VAL . 90.4 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.69 126.16 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.67 104.89 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.0 mt -96.94 118.51 43.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.73 113.11 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 1.9 p90 -126.42 153.08 45.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.455 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 1.8 ttp180 -121.25 109.61 15.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.4 p -53.1 135.17 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.72 130.51 38.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.402 ' CE ' ' HE2' ' A' ' 40' ' ' LYS . 15.4 ttt . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.486 0.184 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -71.7 159.91 33.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.401 HG13 ' CG1' ' A' ' 42' ' ' ILE . 53.8 t -118.63 129.9 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.518 ' CG ' HD11 ' A' ' 35' ' ' ILE . 17.8 m-85 -118.73 113.69 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -89.55 107.03 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.34 125.76 51.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -84.0 117.59 23.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -121.68 171.5 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 4.0 mttm -99.17 145.24 27.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -27.65 1.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.44 -48.95 65.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -80.75 -39.39 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.8 tp -58.86 -40.82 85.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.47 -45.29 36.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mtt -60.68 -40.24 91.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.403 HG13 ' CD2' ' A' ' 43' ' ' PHE . 68.7 t -67.22 -41.54 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -39.9 87.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.6 p -63.0 -30.15 71.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.35 -13.48 54.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -59.75 -52.27 66.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 99.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.48 -47.88 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mp -96.5 129.39 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -113.95 111.02 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 8.8 m -121.37 103.06 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -145.57 59.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 t 62.18 141.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.36 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.16 153.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -74.99 165.33 31.55 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 80.98 -5.43 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -140.45 -59.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -36.97 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -34.92 66.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.518 HD11 ' CG ' ' A' ' 4' ' ' TYR . 1.1 tt -41.19 156.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.08 171.09 21.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 144.96 52.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.51 -18.92 49.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.47 177.91 7.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -132.82 144.2 50.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 19.4 mt -124.71 131.8 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.401 ' CG1' HG13 ' A' ' 3' ' ' VAL . 1.1 mm -106.59 116.73 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.43 ' CZ ' ' CZ ' ' A' ' 105' ' ' PHE . 50.7 m-85 -86.61 119.84 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 65.08 13.32 8.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 64.2 t0 54.73 59.69 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.32 -45.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mt -104.29 110.67 64.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.45 42.59 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.12 145.13 25.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -109.78 139.14 45.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 t -72.3 127.23 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.33 -45.53 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.97 151.02 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.6 p -116.38 136.21 54.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -129.47 138.35 51.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.454 ' CB ' HD21 ' A' ' 101' ' ' LEU . 26.0 tttt -126.59 141.41 51.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.465 ' CB ' HG11 ' A' ' 100' ' ' VAL . 32.1 m-85 -154.28 166.46 33.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.91 -60.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.5 m -68.3 159.71 30.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.614 ' CE1' ' CD2' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -92.37 -48.71 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.948 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -52.38 -35.94 52.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -57.13 -47.57 80.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.477 ' CG2' ' CG1' ' A' ' 100' ' ' VAL . 13.2 t -56.0 -36.09 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.23 -24.12 51.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -44.15 42.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.1 -54.44 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.64 152.4 44.97 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.96 9.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.764 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 56.3 mt -113.73 -35.48 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -57.78 -41.11 81.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -68.84 -51.19 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.32 -50.24 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -141.05 133.71 14.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -19.95 17.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.85 -23.23 63.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.41 65.46 2.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.05 167.9 25.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.4 m -93.99 154.56 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.79 -39.83 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.84 -45.62 42.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -49.4 72.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.83 65.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.2 -51.5 69.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -55.86 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.8 -44.6 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.614 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 3.7 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.477 ' CG1' ' CG2' ' A' ' 63' ' ' VAL . 79.6 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -123.87 116.72 23.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.96 120.94 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.448 ' CD1' HG21 ' A' ' 35' ' ' ILE . 5.8 mt -118.19 119.85 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -98.71 117.87 34.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.544 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 3.0 p90 -132.06 148.45 52.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -118.43 122.76 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 p -65.06 134.4 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.47 157.1 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ttt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.465 0.174 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -90.99 154.59 19.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.448 HG13 ' CG1' ' A' ' 42' ' ' ILE . 40.4 t -112.77 134.29 55.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.499 ' CD1' HD11 ' A' ' 35' ' ' ILE . 12.9 m-85 -126.84 113.2 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -87.34 106.54 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.44 124.22 49.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.02 117.16 23.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.9 mp -122.34 165.64 15.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -89.01 146.22 25.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.25 -36.51 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.3 -52.94 63.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.551 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.5 m-30 -73.6 -45.68 51.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tp -53.29 -42.88 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -44.84 -46.96 11.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.421 ' CE ' ' HG2' ' A' ' 74' ' ' PRO . 2.2 mtt -59.86 -43.31 94.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.421 HG21 ' CB ' ' A' ' 21' ' ' LYS . 64.4 t -60.46 -39.93 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.1 -48.86 76.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 p -59.15 -35.45 73.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.96 -11.69 27.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -58.49 -32.06 68.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.421 ' CB ' HG21 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -84.33 111.42 19.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -129.47 -45.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.55 120.45 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 5.3 pt-20 -114.63 117.22 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -121.45 141.38 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -164.56 -70.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.25 174.09 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.72 28.62 5.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.8 160.59 0.39 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 80.31 2.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.15 -55.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.434 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 0.9 OUTLIER -105.79 -21.97 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -56.42 -25.53 50.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -28.57 61.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.499 HD11 ' CD1' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -43.7 161.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -166.7 171.52 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -62.31 141.58 58.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.39 -25.18 24.04 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -82.2 179.84 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 5.2 ttpt -134.08 148.65 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 31.9 mt -122.21 148.98 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.448 ' CG1' HG13 ' A' ' 3' ' ' VAL . 3.1 mm -124.02 115.3 44.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -91.37 124.71 35.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.3 m120 60.58 15.58 5.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 49.63 58.95 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tp -161.01 -44.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mt -104.81 110.72 64.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.99 41.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.57 147.28 27.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -110.87 143.99 40.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.6 t -75.17 129.41 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.4 t -99.81 -47.08 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 54' ' ' VAL . 3.2 tm-20 -160.08 164.78 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.138 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 49.6 t -150.54 132.35 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.52 156.71 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -122.34 140.96 52.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.598 ' CE1' ' OE1' ' A' ' 62' ' ' GLN . 63.7 m-85 -143.29 160.32 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -106.48 -16.32 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -117.05 124.92 50.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -57.23 -49.94 74.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -39.74 53.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -56.98 -38.05 72.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 100' ' ' VAL . 89.1 t -63.64 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 69' ' ' ILE . 11.0 mp -80.94 -24.63 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -74.66 -47.45 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.14 -55.69 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -91.54 153.18 44.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 64' ' ' LEU . 27.6 mt -108.91 -32.87 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.53 -25.75 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -86.85 -52.81 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.4 mt -55.14 -42.44 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -140.78 122.47 9.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.421 ' HG2' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -75.0 -20.65 16.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.08 -19.83 61.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 8.0 mtmt 62.9 64.4 1.54 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.02 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.8 m -100.86 153.66 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.9 -40.58 14.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -44.22 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -60.87 -49.26 78.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.63 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -49.38 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -52.34 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -44.09 -45.84 8.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.45 ' CG1' HG21 ' A' ' 63' ' ' VAL . 67.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.56 117.39 31.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.37 105.68 17.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.7 mt -102.05 123.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -102.64 128.86 49.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.3 p90 -143.15 152.03 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -123.51 126.67 47.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.65 126.48 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 mt -81.04 98.32 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.544 0.212 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' LYS . 2.1 tttp -80.03 162.65 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.488 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 72.9 t -124.52 122.68 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.516 ' CG ' HD11 ' A' ' 35' ' ' ILE . 35.9 m-85 -110.53 122.24 47.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 mtm-85 -94.4 101.33 13.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.25 120.19 36.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -80.52 116.85 20.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.6 mp -126.72 167.26 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.44 159.89 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.68 -36.05 71.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.59 -53.92 52.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.6 m-85 -73.87 -44.41 55.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.8 -43.58 66.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.84 -47.89 11.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.7 mtt -58.32 -42.49 86.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.31 -37.67 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -70.17 -40.43 74.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.6 p -59.17 -24.41 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.056 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.4 -13.5 65.54 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -59.41 -47.57 84.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -63.78 126.9 29.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -45.88 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mt -114.13 124.85 71.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -119.81 112.26 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.2 m -84.07 111.47 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.59 -170.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.8 t -104.32 22.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 29' ' ' TYR . . . 54.45 -107.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER 52.44 172.2 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 87.73 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.29 -64.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.88 15.98 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -70.27 -26.48 63.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -74.04 -25.53 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.516 HD11 ' CG ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -41.59 152.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.62 178.94 9.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -68.47 142.99 55.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.42 -15.61 55.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.117 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.19 -162.99 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -148.83 145.56 27.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ALA . 76.5 mt -125.32 127.9 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.488 ' CG1' ' CG1' ' A' ' 3' ' ' VAL . 3.4 mm -106.93 106.81 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -79.48 121.94 25.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.59 13.9 6.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.6 t0 55.28 52.3 11.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.56 -46.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mt -103.14 110.82 64.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.22 42.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.18 146.48 26.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -107.02 139.65 41.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.27 120.65 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.12 -46.54 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -172.53 145.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -125.57 142.18 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.88 142.57 34.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -114.55 157.4 23.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.421 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 42.9 m-85 -156.49 172.43 18.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.04 -53.35 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.3 m -81.03 136.24 35.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 37.7 p90 -74.19 -35.29 63.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -62.43 -40.04 95.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -41.36 80.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.436 ' CG2' HG12 ' A' ' 100' ' ' VAL . 76.5 t -59.11 -29.2 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 69' ' ' ILE . 6.9 mp -77.38 -24.28 50.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.77 -45.44 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.35 -59.36 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -89.53 150.91 45.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.59 9.71 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.455 HD11 ' CD2' ' A' ' 64' ' ' LEU . 64.5 mt -111.94 -34.88 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.18 -41.0 78.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -69.86 -52.13 27.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.02 -50.54 69.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.1 126.37 24.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.33 15.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.49 -16.16 62.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt 52.75 66.88 4.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.45 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 -179.92 5.47 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 m -100.49 154.02 18.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.86 -40.52 14.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -43.77 53.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -62.28 -41.16 98.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.45 -39.14 75.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.438 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -59.43 -50.9 72.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -48.26 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -49.03 61.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.436 HG12 ' CG2' ' A' ' 63' ' ' VAL . 83.7 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 102' ' ' ALA . 1.2 tt -147.71 131.49 17.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.418 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -107.24 113.0 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.4 mt -113.43 127.92 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -112.6 112.8 24.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 8.1 p90 -122.78 150.66 42.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.82 109.14 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.65 126.12 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.0 mt -91.92 106.37 18.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tmm? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.525 0.202 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 163.42 28.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.587 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 75.8 t -130.08 137.23 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -120.12 122.98 42.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 mtm-85 -91.89 105.31 17.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -102.15 117.76 35.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.64 117.62 21.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mp -123.16 175.44 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 20.9 mmtm -96.09 156.0 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -26.94 66.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.93 -46.8 67.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -80.33 -43.3 21.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tp -57.18 -41.0 78.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -49.23 -47.21 46.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -39.83 79.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 21' ' ' LYS . 98.7 t -66.12 -37.12 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -45.94 90.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.5 p -59.79 -25.98 65.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.39 -0.97 63.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -67.86 -32.72 73.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.461 ' CB ' HG21 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -80.14 106.62 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.96 -38.33 4.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mt -111.95 125.4 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -100.94 111.09 23.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 t -94.37 112.55 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.47 139.44 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 m -45.15 109.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB1' ' CD1' ' A' ' 101' ' ' LEU . . . -42.13 -82.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER 57.66 160.48 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 83.68 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.96 -62.04 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.241 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.96 12.82 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -71.71 -33.4 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.66 -25.64 60.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.9 tt -42.68 163.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -170.84 169.06 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -49.86 142.63 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.65 -30.51 9.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -74.73 -176.6 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -139.43 140.71 37.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 42' ' ' ILE . 6.4 mt -119.48 142.84 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.587 ' CG1' ' CG1' ' A' ' 3' ' ' VAL . 3.0 mm -121.21 119.54 59.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -95.17 125.98 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.7 m120 60.99 15.63 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.5 t0 49.08 59.15 4.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -46.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.4 mt -100.84 110.37 60.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.29 42.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.811 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.9 153.51 35.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -114.07 146.75 39.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.8 t -82.63 120.63 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.5 t -89.53 -46.68 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 54' ' ' VAL . 6.5 tp10 -170.61 152.59 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 5.3 p -121.69 138.7 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 144.73 47.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' CD ' HD13 ' A' ' 101' ' ' LEU . 7.2 ttpp -133.99 148.16 51.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.415 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 80.0 m-85 -159.11 177.14 11.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.6 mt-10 -105.24 137.0 43.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 1.6 m 78.29 164.22 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -83.89 -44.05 14.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -52.06 -44.04 64.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 29.2 tp60 -54.19 -54.3 41.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.449 ' CG2' HG23 ' A' ' 100' ' ' VAL . 3.6 t -61.29 -38.3 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mp -64.36 -31.38 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -81.25 -39.01 25.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.35 -54.54 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -103.75 156.92 34.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.424 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 52.0 mt -113.13 -38.02 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.05 -31.01 60.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -79.04 -55.09 5.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.5 mt -50.74 -51.45 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -130.73 128.31 22.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.33 16.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.41 -21.04 61.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 13.9 mtmt 58.17 65.02 3.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.7 m -105.44 154.61 20.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.83 -37.67 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -74.21 -45.23 49.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -55.47 -45.37 76.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.64 69.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -51.34 64.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -66.19 -57.91 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -44.16 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 59' ' ' THR . 2.3 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.477 ' CD1' ' HB1' ' A' ' 28' ' ' ALA . 6.3 tp -145.76 132.91 20.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -115.5 105.43 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.9 mt -99.72 130.65 48.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -105.88 122.03 45.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -135.41 155.94 49.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.25 116.58 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -57.98 127.15 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -82.88 99.29 9.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.516 0.198 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -89.24 155.41 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 42' ' ' ILE . 71.7 t -111.63 123.97 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -112.79 113.06 24.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -90.67 102.16 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.94 132.13 50.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -88.53 117.0 27.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mp -120.12 172.56 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 3.7 mttp -95.85 154.02 17.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.36 -34.15 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.08 -49.66 76.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.558 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -76.83 -45.28 29.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.438 HD13 ' CD1' ' A' ' 47' ' ' ILE . 14.3 tp -56.29 -40.4 74.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.07 -48.51 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.19 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.73 -37.74 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.407 ' CG ' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.08 -44.56 95.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 p -59.22 -30.73 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.77 -9.28 55.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -58.2 -38.01 75.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -74.8 121.4 21.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.05 -45.66 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.6 mt -108.03 117.09 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -101.02 111.09 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 t -99.27 125.82 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.52 156.0 13.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.1 t -46.07 118.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.67 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CD1' ' HD2' ' A' ' 30' ' ' PRO . 9.8 t80 60.57 141.85 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.0 82.87 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.782 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 20.0 tp60 -171.14 -51.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -110.18 -24.74 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -20.65 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -74.52 -24.4 58.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -43.59 158.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.91 162.25 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -52.38 142.62 16.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 98.07 -19.97 52.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.31 178.09 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -132.68 144.62 50.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' ALA . 18.0 mt -125.93 142.22 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CD1' HG11 ' A' ' 3' ' ' VAL . 1.9 mm -120.95 109.85 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.4 ' CE2' ' CE1' ' A' ' 105' ' ' PHE . 24.5 m-85 -86.32 122.99 31.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 60.37 16.23 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t0 49.3 67.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -169.11 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.438 ' CD1' HD13 ' A' ' 13' ' ' LEU . 31.2 mt -110.23 110.7 58.26 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.38 43.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.97 152.35 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -112.48 147.87 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.2 t -83.27 115.8 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.58 -46.58 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -170.22 141.38 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.0 t -127.98 128.98 69.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.0 144.95 37.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -103.74 152.74 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -153.26 176.02 12.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -114.71 149.29 37.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.401 ' CG2' ' HG3' ' A' ' 61' ' ' ARG . 2.4 m 63.52 133.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 32.5 p90 -67.56 -35.73 79.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.536 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -60.62 -40.02 90.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -57.2 -50.38 73.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.494 ' CG2' ' CG1' ' A' ' 100' ' ' VAL . 51.8 t -60.56 -31.95 50.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mp -79.24 -14.62 58.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -89.39 -39.37 13.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.15 -62.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.249 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.53 155.93 90.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.428 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 18.1 Cg_endo -75.05 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.42 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 85.1 mt -117.4 -39.4 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -52.01 -39.13 58.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -73.19 -53.99 9.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 68' ' ' PRO . 79.1 mt -52.83 -44.93 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -138.78 126.88 13.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -22.03 15.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -59.72 -22.14 61.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 35.6 mtmt 59.15 64.9 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.95 170.99 19.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.2 m -102.6 153.93 19.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.12 -39.8 14.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -43.35 55.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.82 78.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.16 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -58.76 -45.92 88.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -71.09 -41.16 70.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -58.19 -46.25 86.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.494 ' CG1' ' CG2' ' A' ' 63' ' ' VAL . 22.3 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.03 119.0 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.04 105.08 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.0 mt -103.56 124.18 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -109.49 115.35 29.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.9 p90 -128.07 155.32 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -124.68 118.53 26.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -57.98 136.26 21.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.2 mt -99.47 79.24 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.087 . . . . 0.0 110.982 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.438 ' HE3' ' CE ' ' A' ' 40' ' ' LYS . 3.1 tmm? . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.537 0.208 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -84.7 158.83 20.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.531 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 77.5 t -125.36 142.47 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -125.5 103.8 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -84.55 101.03 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.3 mt -99.15 123.11 43.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.32 116.8 21.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -121.77 174.17 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -99.08 169.22 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.52 -36.34 78.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.59 -46.28 86.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -78.74 -43.77 24.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 32.0 tp -52.85 -44.18 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -44.82 -41.84 7.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.1 mtt -62.05 -45.3 94.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.407 ' CG2' ' HE2' ' A' ' 21' ' ' LYS . 48.1 t -64.68 -43.56 96.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -40.43 97.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -59.25 -29.82 67.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.02 -8.7 59.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.133 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -64.83 -37.36 87.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HE2' ' CG2' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -75.19 107.45 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.81 -42.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 5.2 mt -101.79 125.9 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -100.86 111.21 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.2 t -98.56 105.58 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 -171.59 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 29' ' ' TYR . 31.0 m -97.02 32.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 42.36 31.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.521 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 2.8 t80 -46.25 151.63 0.93 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.04 83.46 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.65 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.497 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -105.8 -31.39 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -30.84 20.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.89 -29.2 65.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 3.3 tt -43.35 164.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -164.71 170.0 16.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 2.4 ttt180 -57.83 140.91 50.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.18 -28.05 14.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -73.97 -177.8 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.438 ' CE ' ' HE3' ' A' ' 1' ' ' MET . 15.8 ttpt -135.95 146.72 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.413 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 70.5 mt -128.16 125.29 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.531 ' CG1' ' CG1' ' A' ' 3' ' ' VAL . 2.6 mm -104.55 122.53 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -94.38 116.16 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 67.1 15.07 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.1 t0 54.88 53.97 9.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.43 -50.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -100.71 110.74 61.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.71 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.2 144.8 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -108.26 139.76 42.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.4 t -73.32 118.61 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.0 t -83.07 -48.95 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -176.78 146.96 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 p -124.05 135.05 64.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.66 139.82 33.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -107.86 147.66 30.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.43 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 42.6 m-85 -140.4 -174.31 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -111.98 124.47 52.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.3 m 69.29 130.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -54.46 -28.95 47.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.33 -48.18 65.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.407 ' HG2' ' NH2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -56.6 -48.18 77.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.491 ' CG2' ' CG2' ' A' ' 100' ' ' VAL . 18.8 t -59.29 -29.13 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 2.4 mm? -77.51 -16.36 58.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.407 ' NH2' ' HG2' ' A' ' 62' ' ' GLN . 0.7 OUTLIER -88.47 -43.88 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -76.15 -59.25 2.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -84.09 146.16 47.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 174.95 11.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.511 ' CG1' ' CD1' ' A' ' 64' ' ' LEU . 4.3 mt -111.46 -33.36 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.09 -29.75 65.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.29 -52.26 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.48 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 81.9 mt -49.71 -40.34 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 72' ' ' ILE . 29.5 m-85 -146.97 137.59 12.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -26.21 11.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -17.31 19.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 15.1 mtmt 48.08 64.21 8.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.04 -177.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -97.9 153.4 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -46.61 -41.18 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -75.13 -46.0 37.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -56.97 -52.93 63.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -50.93 -39.87 55.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.96 -34.92 71.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.86 -58.52 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -55.94 -30.7 62.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.491 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 2.6 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.7 145.35 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.4 105.56 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 6.0 mt -101.44 116.67 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -99.47 112.56 24.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.513 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 4.7 p90 -126.68 151.28 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.88 104.02 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -52.84 130.11 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 mt -96.29 140.21 31.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ttt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.485 0.183 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -73.85 155.08 39.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 42' ' ' ILE . 77.5 t -120.57 127.72 75.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.429 ' CE1' HD13 ' A' ' 35' ' ' ILE . 13.8 m-85 -116.58 103.63 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -83.0 103.37 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt -104.01 121.47 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.45 ' CD1' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -83.21 118.68 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mp -123.11 -179.64 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -101.83 165.26 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -38.16 88.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.4 -49.49 72.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -80.85 -46.58 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.49 -38.79 63.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.19 -40.29 32.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.454 ' CE ' ' HG2' ' A' ' 74' ' ' PRO . 14.3 mtt -61.46 -47.57 85.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.9 t -58.38 -41.3 81.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -65.66 -38.5 89.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.7 p -64.96 -26.43 68.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.39 -12.4 61.64 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -60.66 -33.92 73.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -79.99 103.92 10.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.76 -44.02 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.5 mt -105.9 128.19 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -101.97 114.07 27.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.74 136.02 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.21 157.3 3.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 m -45.5 133.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.93 58.71 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.535 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -81.08 164.89 48.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.535 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.5 Cg_endo -74.93 84.46 1.65 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.12 -43.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -113.27 -31.17 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -25.05 23.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.79 -31.8 68.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' CE1' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -40.48 152.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -156.18 174.3 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.441 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 10.7 ttt180 -68.2 142.99 55.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.16 -25.56 27.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.39 -175.32 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -144.03 146.03 32.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.406 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 6.0 mt -123.35 138.59 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CD1' HG13 ' A' ' 3' ' ' VAL . 1.7 mm -111.77 113.98 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -87.43 125.98 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 m120 57.85 17.67 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.45 ' OD1' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 48.34 66.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tp -168.87 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -107.46 110.67 63.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.76 42.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.28 149.01 28.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -114.41 145.22 42.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.441 ' CG1' ' HA ' ' A' ' 37' ' ' ARG . 89.6 t -78.55 113.82 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.2 t -77.56 -46.21 27.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -170.96 145.71 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -112.84 143.65 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -139.24 138.23 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.461 ' HG3' ' CD2' ' A' ' 101' ' ' LEU . 4.5 tttt -128.83 141.17 51.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -137.67 -171.93 3.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -107.64 -63.91 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 p -85.84 155.51 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.7 -41.97 20.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -38.97 58.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -35.56 80.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 100' ' ' VAL . 23.9 t -65.1 -37.24 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 9.0 mp -76.38 -6.67 52.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -94.19 -42.54 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.48 -47.69 10.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -92.76 146.2 31.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.39 14.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.428 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 47.7 mt -112.74 -33.03 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -60.05 -46.22 90.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -66.32 -49.99 65.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.3 mt -56.65 -54.13 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -123.49 127.18 25.63 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.454 ' HG2' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.94 -18.63 18.73 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.532 1.806 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -9.58 58.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 6.3 mtmp? 47.47 64.31 8.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -101.6 153.23 19.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -46.65 -41.56 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -44.78 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.239 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -58.88 -52.59 65.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.528 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -48.95 -41.09 32.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -40.19 72.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -60.69 -58.95 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -54.16 -48.66 70.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 63' ' ' VAL . 2.4 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -148.45 120.31 8.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.85 108.15 19.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 48.5 mt -104.19 132.98 49.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -109.47 130.3 55.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 3.2 p90 -145.5 150.9 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.417 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -122.43 112.78 18.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -55.82 118.27 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.38 123.36 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.496 0.189 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 158.66 32.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.464 HG13 ' CG1' ' A' ' 42' ' ' ILE . 74.2 t -119.95 134.02 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -121.93 114.81 21.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -87.85 105.29 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.23 125.66 50.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -83.92 118.93 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp -120.53 179.64 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.54 153.05 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -27.64 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.28 -52.52 32.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.2 m-30 -74.98 -40.4 60.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.11 -43.99 87.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.56 -49.23 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -39.54 90.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.68 -38.72 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -41.55 93.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.2 p -59.75 -23.69 63.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.05 -7.25 73.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -62.53 -37.47 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -73.0 107.56 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.89 -40.88 2.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 66.6 mt -102.53 121.39 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -102.63 112.1 24.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.2 t -99.59 122.73 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -157.61 141.89 16.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -42.32 135.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.69 60.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -82.68 163.52 51.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.99 81.88 2.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.01 -49.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mt -110.64 -24.23 10.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -23.44 57.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -29.96 63.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.415 HD13 ' CG1' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -42.28 159.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.97 163.9 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.09 135.72 56.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.95 -27.68 11.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.36 -175.59 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.07 154.06 50.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.415 ' CG1' HD13 ' A' ' 35' ' ' ILE . 24.6 mt -135.44 139.47 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CG1' HG13 ' A' ' 3' ' ' VAL . 1.5 mm -120.13 116.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -86.8 122.8 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 63.45 14.23 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER 52.64 56.93 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.27 -46.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mt -102.38 110.67 63.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.38 40.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.29 143.97 24.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.76 147.59 30.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.98 121.86 31.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.3 t -89.84 -49.8 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -163.29 148.46 11.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 p -128.24 127.96 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 57' ' ' TYR . 1.9 mmtp -142.81 149.08 38.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -126.69 151.99 47.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.52 ' CE1' ' HD2' ' A' ' 55' ' ' LYS . 45.6 m-85 -150.5 179.58 8.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.544 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.3 mt-10 -106.89 156.77 18.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.544 ' CG2' ' O ' ' A' ' 58' ' ' GLU . 14.7 t 52.99 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 18.5 p90 -99.63 -39.5 8.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.609 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -50.65 -36.28 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -74.56 -52.64 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 57' ' ' TYR . 3.0 t -51.77 -30.22 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.36 -29.11 62.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' GLN . 2.1 mmp_? -77.2 -39.49 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 2.7 tt0 -76.52 -56.5 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.85 151.34 40.7 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 172.58 16.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 22.5 mt -112.62 -31.3 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.24 -34.64 76.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -75.6 -56.17 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.5 mt -50.31 -44.62 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -135.36 130.95 19.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.13 15.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -20.58 52.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt 50.74 64.94 7.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.02 -169.97 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -111.86 153.48 26.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.37 -40.64 17.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.59 57.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -49.01 77.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.25 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -51.28 67.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -54.84 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -41.66 -46.51 3.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 57' ' ' TYR . 9.1 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.4 ' CD2' HG13 ' A' ' 103' ' ' ILE . 2.4 tt -122.86 130.91 53.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.34 104.62 13.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.4 HG13 ' CD2' ' A' ' 101' ' ' LEU . 40.7 mt -99.58 133.05 43.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.1 113.44 23.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 2.9 p90 -126.91 153.3 45.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 3.7 ttp180 -121.56 114.41 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -57.92 119.09 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.1 mt -73.38 101.95 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.544 0.211 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.1 tttt -113.07 165.1 12.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.1 t -121.67 138.45 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -126.55 114.36 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -86.15 103.06 14.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.8 mt -105.18 118.02 35.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -81.3 117.09 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 43' ' ' PHE . 2.7 mp -118.95 176.73 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -98.05 148.22 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -28.57 42.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.25 -51.83 48.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.3 m-30 -75.38 -43.92 47.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 47' ' ' ILE . 8.4 tp -53.21 -42.64 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.69 -49.05 10.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -45.29 81.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG11 ' CD2' ' A' ' 43' ' ' PHE . 46.2 t -60.24 -44.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -59.44 -40.93 88.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 p -64.72 -29.35 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.19 -21.08 31.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -50.9 -47.86 60.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' CB ' HG21 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -66.54 110.8 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -127.14 -44.8 1.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 26.5 mt -106.65 125.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 25' ' ' VAL . 6.4 tp10 -109.35 114.8 28.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.421 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 97.0 t -108.11 101.63 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.515 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 1.6 tpt180 -140.12 68.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.282 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 26' ' ' ARG . 6.2 p 50.77 178.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.73 58.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -84.61 169.26 17.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.05 84.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 -55.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.98 15.6 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -82.18 -31.9 30.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.404 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 1.1 t70 -72.76 -26.85 61.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.5 tt -45.98 154.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -158.72 179.76 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -59.77 141.42 55.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.57 -18.29 38.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.06 177.1 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 16.1 ttpt -130.09 145.48 51.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' ALA . 58.6 mt -127.7 133.2 68.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 mm -114.45 123.91 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.477 ' CD2' HG11 ' A' ' 16' ' ' VAL . 22.3 m-85 -97.64 127.69 43.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 59.61 16.92 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER 48.71 60.45 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.9 tp -160.03 -51.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.42 ' CD1' HD12 ' A' ' 13' ' ' LEU . 6.3 mt -102.3 111.37 64.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.62 42.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.06 146.33 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -108.99 143.19 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.2 t -78.0 113.41 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.5 t -79.42 -49.03 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -170.99 145.24 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.431 ' CG2' HG12 ' A' ' 103' ' ' ILE . 7.1 p -115.75 139.85 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -140.09 137.05 34.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -125.74 141.41 52.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 41.0 m-85 -132.48 -175.53 3.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -112.33 -45.31 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.6 m -92.46 126.56 37.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 52.0 p90 -65.55 -38.95 91.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -61.51 -45.23 95.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -36.11 73.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.46 ' CG2' HG11 ' A' ' 100' ' ' VAL . 49.7 t -58.52 -38.23 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.65 -21.6 61.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 65' ' ' ARG . 1.7 mmp_? -80.54 -44.92 18.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.75 -60.75 2.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -77.18 148.94 78.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.414 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 4.6 mt -112.23 -36.82 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.22 -45.44 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -70.82 -55.9 7.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.459 ' CD1' ' O ' ' A' ' 68' ' ' PRO . 60.5 mt -48.55 -55.76 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -122.27 128.2 25.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.14 9.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -15.16 35.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 7.4 mtmt 53.66 64.33 6.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 173.36 14.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.8 m -94.41 154.3 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -46.8 -41.11 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -44.13 47.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -52.72 64.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.01 -39.84 28.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -41.2 97.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -74.14 -47.17 37.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -49.41 -46.71 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 57' ' ' TYR . 66.1 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -159.07 143.88 15.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.19 106.47 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.473 HG13 ' CD1' ' A' ' 101' ' ' LEU . 39.3 mt -104.28 131.35 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -99.83 117.46 34.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.2 p90 -129.61 152.51 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.432 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 5.8 mtp180 -125.94 122.82 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.44 121.48 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.76 97.35 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.48 0.181 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -86.57 166.58 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.474 HG13 ' CG1' ' A' ' 42' ' ' ILE . 65.0 t -120.02 133.61 66.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.446 ' CD1' HD11 ' A' ' 35' ' ' ILE . 67.1 m-85 -125.1 121.19 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -93.84 92.35 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.61 119.98 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.23 116.14 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 9.7 mp -127.37 169.3 13.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.36 162.35 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -31.35 71.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.56 -50.12 72.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.4 m-85 -79.27 -45.45 19.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -53.28 -43.88 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -45.72 -41.48 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.06 -44.1 97.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.92 -38.48 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.178 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -61.86 -47.59 84.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.0 p -59.01 -28.12 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CD ' ' A' ' 22' ' ' ARG . . . 102.97 -13.73 56.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -54.34 -51.11 65.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -57.14 107.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -123.6 -42.29 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mt -113.55 113.49 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -106.12 111.21 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.86 101.25 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.11 58.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.4 t 61.33 159.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' CD2' ' A' ' 101' ' ' LEU . . . -96.97 56.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.48 157.14 0.38 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.16 -3.25 12.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -118.3 -49.31 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -26.49 4.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.11 -29.43 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -41.4 152.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.87 159.53 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -58.58 133.25 55.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.45 -10.09 53.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -78.03 -177.78 5.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 42' ' ' ILE . 12.3 ttpt -135.63 135.04 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.562 HG21 ' CE1' ' A' ' 43' ' ' PHE . 42.6 mt -116.8 134.14 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -114.8 106.43 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 41' ' ' ILE . 28.7 m-85 -79.39 123.86 27.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.8 m120 61.1 14.71 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 t70 52.39 64.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 tp -167.1 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mt -106.34 110.61 64.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 153.75 42.08 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.53 151.71 33.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -112.77 145.11 41.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 t -78.04 125.32 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 7.0 t -91.54 -47.35 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -168.22 146.3 4.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.79 138.23 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -137.01 153.18 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -125.19 140.29 52.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . 50.1 m-85 -138.26 -170.46 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -120.16 177.15 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.2 p 40.72 -138.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.499 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 45.7 p90 -143.07 -45.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.499 ' N ' ' CG ' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -53.28 -38.86 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -59.93 -42.19 93.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 100' ' ' VAL . 4.8 t -61.0 -31.97 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.8 mp -74.35 -21.91 59.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.468 ' CG ' ' HD3' ' A' ' 61' ' ' ARG . 5.5 mmm180 -86.79 -42.33 13.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -63.26 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.53 153.82 46.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 175.13 11.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.41 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 34.0 mt -113.43 -36.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -53.9 -41.96 68.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -72.36 -56.74 4.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 55.7 mt -46.29 -49.58 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -134.45 128.33 19.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.71 13.52 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -17.39 24.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 52.48 68.17 3.33 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.5 Cg_endo -74.96 178.99 6.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.537 1.809 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.4 m -108.16 155.53 20.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -48.08 -39.01 18.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -40.81 63.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -42.08 87.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.22 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.61 -45.77 74.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -72.44 -50.62 24.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -48.62 11.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.48 HG22 ' CG2' ' A' ' 63' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.411 ' CD2' ' HB1' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -158.76 119.48 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.402 ' N ' HD12 ' A' ' 101' ' ' LEU . . . -105.89 105.1 14.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' CD1' HG22 ' A' ' 35' ' ' ILE . 34.5 mt -97.33 131.83 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -110.87 117.37 33.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.523 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 41.9 p90 -130.09 156.45 44.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -123.13 110.28 15.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.55 128.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.3 mt -85.34 107.33 17.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.53 0.205 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -103.51 158.56 16.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.34 137.51 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.428 ' CD2' HD13 ' A' ' 35' ' ' ILE . 33.6 m-85 -127.27 109.32 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -89.26 100.14 12.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mt -97.68 123.91 41.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.95 116.5 20.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -122.81 178.88 4.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.02 153.4 20.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -40.45 62.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.81 -52.01 66.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' A' ' 12' ' ' TYR . 1.4 m-30 -71.97 -48.03 47.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.3 tp -53.35 -42.92 67.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -44.87 -48.66 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -42.64 90.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.495 HG11 ' CD2' ' A' ' 43' ' ' PHE . 91.3 t -63.81 -47.67 89.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -42.09 86.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.9 p -59.34 -26.58 65.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.943 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.85 -20.87 46.07 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -52.9 -44.21 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.44 ' CB ' HG21 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -71.85 106.36 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.42 -40.57 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.4 mt -107.52 127.33 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -109.56 111.17 22.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.1 t -125.0 131.92 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.68 -68.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 m -150.15 179.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.47 27.43 5.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 1.4 t80 -42.09 153.19 0.29 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.04 91.34 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.18 -44.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -106.59 -35.75 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -31.72 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -58.96 -33.63 70.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -42.25 162.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -178.24 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.65 148.65 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.2 -5.51 78.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -94.39 -179.88 5.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 2' ' ' LYS . 12.8 ttpt -134.14 141.5 47.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mt -122.56 132.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.5 mm -112.59 111.19 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CD2' HG11 ' A' ' 16' ' ' VAL . 29.1 m-85 -80.6 120.68 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.06 17.92 7.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.6 t0 51.55 60.77 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -159.64 -50.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 mt -101.31 110.73 62.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.1 41.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.11 146.58 26.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -110.17 141.92 42.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.46 123.47 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.6 t -90.32 -47.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -167.12 144.17 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -128.02 134.43 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.96 149.68 38.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -114.82 150.54 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -141.63 -170.91 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -129.4 127.23 40.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m 74.12 124.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -57.31 -30.62 64.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -36.6 78.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -47.26 60.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.48 ' CG2' ' CG2' ' A' ' 100' ' ' VAL . 89.3 t -53.68 -33.34 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.53 -24.97 63.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -87.46 -40.97 13.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.72 -61.25 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -91.47 156.62 43.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 173.08 15.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.423 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 57.7 mt -114.87 -38.7 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -51.5 -30.01 18.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -82.69 -51.4 7.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 84.4 mt -53.66 -61.68 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -118.99 128.91 25.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -20.78 16.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -15.45 46.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 9.6 mtmm 52.62 64.47 7.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.423 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.07 174.44 12.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -104.65 152.39 22.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -47.14 -41.19 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -40.52 60.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -63.75 -47.55 80.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.84 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -52.39 64.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -54.92 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -41.05 -47.01 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.48 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.73 130.13 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -112.13 107.34 16.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mt -102.66 125.04 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -108.32 115.23 29.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 7.1 p90 -128.84 153.18 47.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.437 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 3.3 mtt180 -123.81 109.59 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.31 127.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -80.15 93.07 5.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.514 0.197 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -73.66 162.37 29.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.422 HG11 ' CG1' ' A' ' 42' ' ' ILE . 74.9 t -121.61 123.69 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.487 ' CD1' HD12 ' A' ' 35' ' ' ILE . 10.3 m-85 -110.86 118.17 35.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -94.13 108.85 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 mt -103.37 122.62 45.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -80.82 116.32 20.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -124.77 169.56 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -99.39 149.13 23.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.5 -27.48 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.81 -54.52 44.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -82.69 -39.59 21.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tp -53.63 -51.02 64.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -45.13 -41.62 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -38.86 89.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.538 HG12 ' CD2' ' A' ' 43' ' ' PHE . 58.2 t -69.83 -40.18 78.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -38.14 89.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.5 p -64.85 -27.45 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.34 -24.37 22.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -48.33 -56.48 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -59.84 114.27 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -129.74 -44.04 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.7 mt -111.47 119.89 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -105.82 120.67 42.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -108.61 135.03 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' VAL . 7.2 ttt180 -177.95 83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 28' ' ' ALA . 2.4 p 44.9 -169.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.425 ' N ' HG11 ' A' ' 27' ' ' VAL . . . -137.71 78.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -90.1 170.1 11.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.31 9.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 18.3 tp60 -105.76 2.25 27.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.3 mt -145.26 -52.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -49.78 -30.45 9.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.9 -33.96 76.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.487 HD12 ' CD1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -47.14 158.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.36 166.73 6.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -56.32 136.94 53.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.54 -22.63 28.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 0.8 OUTLIER -82.14 -171.9 3.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.736 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.47 ' CD ' HD11 ' A' ' 42' ' ' ILE . 10.6 ttmm -141.02 140.26 34.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ALA . 65.4 mt -117.67 140.49 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.47 HD11 ' CD ' ' A' ' 40' ' ' LYS . 1.2 mm -122.0 122.51 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CD2' HG12 ' A' ' 16' ' ' VAL . 62.1 m-85 -96.29 118.71 33.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 65.77 14.59 9.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 60.0 t0 52.94 58.24 5.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.33 -48.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -101.53 110.4 61.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.38 42.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.91 149.32 29.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -109.17 138.25 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 t -73.65 124.59 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.2 t -90.0 -49.13 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.06 149.14 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.29 137.9 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 136.97 36.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -118.88 140.84 49.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.4 ' OH ' ' CD ' ' A' ' 66' ' ' GLU . 57.8 m-85 -142.63 -170.85 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' THR . 11.6 pt-20 -115.44 -172.91 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' GLU . 62.3 p 38.16 -157.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -117.9 -49.94 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -51.03 -38.88 54.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 28.4 tp60 -50.6 -55.26 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.51 -32.39 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 86' ' ' PHE . 8.5 mp -75.69 -20.82 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' ARG . 7.7 mmm180 -88.26 -41.0 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -75.82 -60.38 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -93.17 148.54 35.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.26 10.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.453 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 31.3 mt -110.32 -28.8 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -60.5 -41.39 94.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -74.52 -56.12 5.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.455 HG22 ' CE1' ' A' ' 73' ' ' PHE . 45.2 mt -50.84 -43.09 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.455 ' CE1' HG22 ' A' ' 72' ' ' ILE . 21.1 m-85 -137.33 121.73 12.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.26 17.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.446 1.761 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.12 -21.22 58.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 9.1 mtmt 56.13 64.51 5.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.0 -175.45 2.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 m -102.95 151.83 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -46.89 -41.28 15.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -43.24 55.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -52.21 65.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.35 32.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -51.83 63.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -55.1 -50.07 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -44.05 87.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.457 ' CE2' HD12 ' A' ' 64' ' ' LEU . 1.9 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.463 ' CD1' HG13 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -155.33 141.38 18.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.52 108.35 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.463 HG13 ' CD1' ' A' ' 101' ' ' LEU . 36.5 mt -101.3 132.01 47.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.5 116.22 31.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 21.2 p90 -130.88 152.91 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.35 116.18 24.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.5 p -61.12 135.75 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mt -99.59 89.8 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.467 0.175 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -87.01 153.57 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.9 t -111.53 136.66 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.566 ' CE1' HD13 ' A' ' 35' ' ' ILE . 23.1 m-85 -125.22 105.25 8.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -81.83 94.05 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -94.63 122.32 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 116.96 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 43' ' ' PHE . 4.0 mp -121.62 169.98 10.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -89.29 157.26 18.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -33.62 71.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.77 -53.07 62.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.56 ' N ' ' CD1' ' A' ' 12' ' ' TYR . 1.1 m-30 -77.73 -46.27 22.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.95 -43.05 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -45.56 -48.04 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 mtt -58.03 -44.88 87.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.451 HG22 ' CB ' ' A' ' 21' ' ' LYS . 62.1 t -58.53 -38.82 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -41.57 94.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 p -59.12 -37.0 76.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.63 -1.94 34.27 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' CB ' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -65.95 124.52 22.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.13 -46.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.3 mp -98.3 126.83 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' C ' ' CD ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -108.54 111.07 22.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 m -106.51 111.3 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -162.23 167.52 23.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.479 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 78.5 t -45.06 129.48 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . . . -75.58 59.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.479 ' CE2' ' HB ' ' A' ' 27' ' ' VAL . 23.2 m-85 -54.94 161.72 2.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.77 21.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 8.66 37.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 mt -135.85 -53.02 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -50.36 -31.59 15.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.77 -27.4 64.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 4' ' ' TYR . 0.5 OUTLIER -50.41 153.24 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -164.6 177.4 8.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.22 131.83 48.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.94 -17.52 35.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.31 -179.67 7.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -138.19 144.41 40.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.482 HG21 ' CE1' ' A' ' 43' ' ' PHE . 63.1 mt -129.02 127.61 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -106.57 114.87 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.482 ' CE1' HG21 ' A' ' 41' ' ' ILE . 15.1 m-85 -86.81 126.54 34.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 m120 60.54 15.96 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 51.27 59.25 4.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.6 tp -161.87 -48.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mt -104.12 110.53 64.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 160.5 39.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.01 147.18 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -110.37 139.4 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 t -75.51 120.41 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.1 t -89.82 -45.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -166.4 159.31 14.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.72 147.35 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -142.65 149.35 38.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 17.6 tttm -136.47 144.79 44.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.534 ' CE1' ' OE1' ' A' ' 62' ' ' GLN . 5.0 m-85 -146.02 -171.34 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -106.67 -60.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 p -93.66 149.41 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -35.97 69.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' CD ' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -50.9 -41.0 58.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.534 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -65.27 -37.02 85.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.487 ' CG2' HG13 ' A' ' 100' ' ' VAL . 55.7 t -63.48 -28.85 45.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.31 -12.37 59.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -88.12 -45.86 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -55.46 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 41.2 mp0 -84.66 149.08 53.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.12 13.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 46.3 mt -111.88 -34.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.6 -36.76 76.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -73.03 -54.82 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.7 mt -47.29 -51.45 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 17.2 m-85 -135.52 136.43 23.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.99 -23.44 13.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.56 -19.1 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 50.65 66.76 5.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -104.9 155.49 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.03 -39.94 13.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.1 -48.71 22.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -46.63 83.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.24 -33.97 63.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -52.31 22.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -60.98 -53.67 54.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -41.98 -48.79 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.487 HG13 ' CG2' ' A' ' 63' ' ' VAL . 3.1 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 28' ' ' ALA . 5.0 tp -126.91 121.49 31.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 55' ' ' LYS . . . -99.61 104.63 16.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.3 mt -102.77 126.86 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -107.7 128.97 55.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -149.65 156.94 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -135.3 123.56 23.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.3 p -57.07 135.33 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mt -85.8 95.73 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 110.971 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.513 0.197 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -85.24 158.11 20.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.4 t -117.13 131.92 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.461 ' CE2' HD13 ' A' ' 35' ' ' ILE . 13.8 m-85 -117.52 126.56 52.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -97.12 78.95 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.8 mt -75.21 123.02 24.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.69 116.72 22.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.419 ' N ' HD13 ' A' ' 8' ' ' LEU . 6.7 mp -123.58 159.83 28.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 6.0 mttp -87.8 160.15 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -34.86 69.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.98 -57.93 6.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.7 m-30 -64.64 -41.13 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.33 -44.19 88.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -49.09 12.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtt -56.61 -43.6 80.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG13 ' CD2' ' A' ' 43' ' ' PHE . 80.4 t -62.49 -35.73 71.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' CG ' HD11 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -72.43 -29.81 64.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.1 p -70.19 -27.52 64.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.7 -17.48 49.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -45.88 87.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -65.99 108.64 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.11 -44.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.1 mt -108.24 123.87 64.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 14.5 pt-20 -112.75 110.95 21.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.444 HG11 ' CG2' ' A' ' 72' ' ' ILE . 7.3 p -106.19 113.61 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -150.48 82.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 26' ' ' ARG . 34.6 m 45.13 -168.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.01 33.01 2.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -56.73 166.26 1.39 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.28 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 13.3 tp60 -153.49 -64.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.53 17.37 3.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -76.93 -23.47 52.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.82 -25.62 35.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.461 HD13 ' CE2' ' A' ' 4' ' ' TYR . 2.1 tt -41.95 161.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.34 177.23 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 6.7 ttt180 -58.95 140.55 55.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.43 -27.57 15.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.72 -177.7 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -134.31 142.34 47.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' ALA . 41.7 mt -127.09 128.2 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.3 mm -113.38 116.92 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.559 ' CD2' HG13 ' A' ' 16' ' ' VAL . 31.6 m-85 -84.48 122.54 29.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 63.39 13.68 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.8 t0 55.24 50.2 15.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -149.31 -49.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.467 HD11 ' CG ' ' A' ' 17' ' ' LYS . 4.7 mt -101.53 110.9 63.0 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 152.04 40.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.02 149.13 29.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -107.05 149.21 27.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.81 115.73 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 t -76.58 -48.64 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -174.77 142.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.83 134.32 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -142.49 155.28 45.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -124.93 143.08 51.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 55' ' ' LYS . 69.2 m-85 -139.34 -171.85 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.07 149.65 43.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.6 m 61.49 108.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.381 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -46.69 -27.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -43.31 88.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.426 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -59.43 -48.22 82.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' A' ' 100' ' ' VAL . 13.3 t -54.46 -30.28 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.25 -29.9 63.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -83.45 -41.21 18.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.2 -55.37 8.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -95.78 158.95 33.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.38 14.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.0 mt -115.72 -40.16 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -55.17 -28.68 54.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -80.01 -55.74 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.444 ' CG2' HG11 ' A' ' 25' ' ' VAL . 39.2 mt -44.26 -46.41 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.42 146.83 61.0 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.84 14.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.559 1.821 . . . . 0.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -68.02 -13.98 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' ASP . 8.3 pttt 38.27 64.54 3.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 76' ' ' LYS . 18.4 Cg_endo -74.95 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -89.42 159.48 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.98 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.05 -38.32 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.02 -43.81 51.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -45.77 90.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 86' ' ' PHE . . . -67.45 -31.67 71.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -65.3 -50.9 63.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -71.61 -36.83 70.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -57.0 -42.59 80.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 82' ' ' ALA . 3.3 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.431 HG21 ' CG2' ' A' ' 63' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -159.05 129.39 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -116.48 112.87 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.433 HG13 ' CD1' ' A' ' 101' ' ' LEU . 24.4 mt -109.05 132.05 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -114.31 119.07 35.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 11.0 p90 -133.63 148.48 51.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 114.73 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.1 p -58.43 127.3 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.97 120.06 30.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.443 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.506 0.194 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' LYS . 6.2 tppt? -73.48 158.27 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.504 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 78.7 t -127.48 125.99 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.625 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 4.0 m-85 -111.9 102.63 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -81.15 104.57 11.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mt -104.76 121.53 43.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.66 117.89 22.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -123.81 178.91 5.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -97.6 164.36 12.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.35 -37.57 87.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.35 -47.88 80.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -74.92 -43.62 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.03 -47.43 85.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -44.56 -47.56 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -42.76 96.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.467 HG22 ' CB ' ' A' ' 21' ' ' LYS . 22.9 t -58.37 -45.96 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -58.06 -41.6 83.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 p -59.08 -31.16 68.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.15 -20.72 30.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.22 -47.89 24.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CB ' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -65.98 118.48 9.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -135.56 -45.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.92 112.77 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' OE2' ' CE1' ' A' ' 105' ' ' PHE . 1.5 pm0 -108.44 113.86 27.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -102.43 141.65 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -165.42 -60.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -174.75 150.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HB1' ' CD1' ' A' ' 101' ' ' LEU . . . -89.18 53.98 2.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -45.27 158.13 0.32 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.85 21.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -1.63 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' ILE . 23.1 mt -118.27 -54.24 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.83 -36.03 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -51.63 -36.58 46.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.625 ' CD1' ' CD2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -41.22 156.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -167.16 172.14 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -58.85 132.48 54.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 1' ' ' MET . . . 109.82 -37.31 3.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.46 -175.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 2' ' ' LYS . 5.8 ttmt -138.57 145.92 41.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.466 ' CG2' ' CE1' ' A' ' 43' ' ' PHE . 91.8 mt -124.28 126.22 71.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.504 ' CG1' ' CG1' ' A' ' 3' ' ' VAL . 1.6 mm -108.82 118.35 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.542 ' CZ ' ' CE2' ' A' ' 105' ' ' PHE . 7.9 m-85 -94.62 122.2 36.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 m120 60.35 19.14 8.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.6 t0 49.04 67.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 tp -169.06 -49.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 17' ' ' LYS . 6.5 mt -102.35 110.89 63.81 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.53 41.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.16 155.24 38.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -115.17 145.04 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.37 115.18 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.57 -49.49 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.44 149.81 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.0 137.85 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.93 167.09 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.452 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 16.0 tttt -129.97 155.24 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 56.8 m-85 -158.58 -175.15 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -124.53 166.7 15.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.2 p 46.05 -164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -108.51 -44.35 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -51.77 -39.88 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -57.93 -53.11 61.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.474 ' CG2' ' CG1' ' A' ' 100' ' ' VAL . 42.0 t -67.04 -32.79 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mp -74.62 -17.85 60.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -91.35 -41.59 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.2 -53.56 12.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -105.11 157.78 33.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.54 14.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.792 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.457 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 61.7 mt -105.78 -34.32 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.16 -31.11 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -79.29 -45.62 19.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.62 -56.17 17.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.01 126.07 27.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.79 14.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.13 -13.8 41.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 3.4 mtmt 51.95 63.89 8.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.457 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -177.78 3.71 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.6 m -105.97 155.18 19.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.9 -40.15 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.93 -48.82 22.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -43.91 83.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -55.23 -38.23 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -43.86 86.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -58.97 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.77 -48.47 4.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 3.3 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.474 ' CG1' ' CG2' ' A' ' 63' ' ' VAL . 21.7 t . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.476 ' CD1' ' HB1' ' A' ' 28' ' ' ALA . 2.8 tp -110.18 122.37 47.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.64 105.22 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.1 mt -94.56 123.7 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -103.13 113.59 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.542 ' CE2' ' CZ ' ' A' ' 43' ' ' PHE . 7.6 p90 -127.6 156.76 41.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -126.46 113.85 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -55.55 135.54 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -97.67 98.08 9.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ttt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.54 0.209 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.7 tttt -92.73 165.21 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.5 t -122.61 130.2 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -119.38 111.99 18.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -88.97 102.41 15.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -102.14 119.51 38.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.39 117.59 22.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.429 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.2 mp -122.02 178.09 5.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.84 164.31 12.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.31 -35.16 79.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.8 -49.9 75.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -77.04 -46.92 22.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 tp -53.73 -44.19 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -47.05 -33.26 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.479 ' CE ' ' CG ' ' A' ' 74' ' ' PRO . 8.0 mtt -70.65 -47.19 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.491 HG13 ' CD2' ' A' ' 43' ' ' PHE . 46.1 t -60.28 -47.4 92.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -45.4 71.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 p -59.9 -34.78 73.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.59 -19.39 33.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -49.53 -34.91 18.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -78.95 116.78 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -45.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.2 mp -98.21 121.09 48.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -102.07 110.78 22.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.8 104.69 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 8.6 ttt180 -142.05 69.14 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 26' ' ' ARG . 30.9 m 46.16 -170.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.02 24.98 8.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -41.64 155.26 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.99 82.78 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.8 -55.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.506 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 7.6 mt -98.39 -28.01 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -32.38 17.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -66.48 -31.78 72.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -40.16 154.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -155.88 172.39 18.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.72 138.15 56.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.16 -21.82 32.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.095 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.48 -179.58 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' LYS . 6.6 tttp -135.01 148.21 49.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.7 mt -129.21 142.45 43.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mm -120.62 106.72 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CZ ' ' CZ ' ' A' ' 105' ' ' PHE . 31.7 m-85 -81.15 123.98 28.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 6.2 m120 60.25 15.98 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.6 t0 50.65 62.44 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.8 tp -165.1 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -106.95 110.87 63.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.36 42.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.443 1.759 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.19 150.78 31.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -116.83 143.8 45.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.6 t -77.01 118.09 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -84.99 -47.28 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -170.17 146.78 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 p -124.14 137.11 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.1 142.42 36.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -114.27 152.69 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 66' ' ' GLU . 45.2 m-85 -158.62 -170.92 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.5 pt-20 -131.85 138.88 48.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 2.1 m 78.64 145.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 51.8 p90 -67.22 -39.27 86.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -55.46 -40.71 71.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 25.5 tp60 -57.74 -55.18 38.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 39.6 t -66.64 -32.51 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' CD1' ' CD1' ' A' ' 69' ' ' ILE . 2.3 mm? -67.26 -29.2 68.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -87.85 -39.16 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 57' ' ' TYR . 1.1 tm-20 -63.54 -54.13 40.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -107.04 157.45 35.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.08 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 172.97 15.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.811 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 5.2 mt -104.8 -26.15 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -30.7 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.95 -59.75 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.52 HG21 ' CE2' ' A' ' 73' ' ' PHE . 82.3 mt -40.9 -47.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.52 ' CE2' HG21 ' A' ' 72' ' ' ILE . 57.9 m-85 -135.23 147.62 63.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.479 ' CG ' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.97 -30.44 7.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 76' ' ' LYS . 2.2 m-20 -61.17 -14.98 28.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 32.85 63.45 1.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 -170.56 0.8 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.508 1.794 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.8 m -99.58 156.94 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.13 -38.45 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.48 -38.35 62.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -46.7 67.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 -35.59 73.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -34.58 78.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -72.54 -45.62 58.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -40.79 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 59' ' ' THR . 92.1 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -134.51 134.0 40.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.416 ' N ' HD22 ' A' ' 101' ' ' LEU . . . -114.49 105.9 13.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.4 mt -95.66 131.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -117.81 114.64 23.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 2.7 p90 -129.76 157.48 42.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.43 113.3 19.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.89 114.39 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.38 112.11 6.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ttt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.495 0.188 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -93.34 160.18 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.428 HG13 ' CG1' ' A' ' 42' ' ' ILE . 76.0 t -120.17 134.83 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.455 ' CE1' HD13 ' A' ' 35' ' ' ILE . 9.6 m-85 -123.32 109.7 14.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -83.48 99.57 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -99.79 119.27 37.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -82.73 118.94 23.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -121.6 166.53 14.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.96 156.28 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -27.5 68.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.94 -50.81 53.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -77.61 -43.58 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 47' ' ' ILE . 12.5 tp -53.23 -45.54 68.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -45.7 59.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -35.61 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.9 t -73.29 -45.99 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -33.96 60.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 p -75.28 -32.8 61.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 110.042 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.9 19.74 12.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -76.34 -34.56 58.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.05 148.41 34.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.55 -44.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 36.5 mt -111.62 123.04 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -105.39 124.87 50.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.52 118.89 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.48 57.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 29' ' ' TYR . 8.4 t 67.05 160.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.464 ' CB ' ' HE3' ' A' ' 56' ' ' LYS . . . -104.28 32.97 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.561 ' CD1' HG12 ' A' ' 27' ' ' VAL . 22.4 m-85 -48.26 154.57 1.06 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.01 2.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -168.92 -46.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 7.2 mt -110.97 -29.08 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HE3' ' CA ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -48.63 -35.74 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CA ' ' HE3' ' A' ' 33' ' ' LYS . 6.7 t0 -57.17 -35.55 69.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.455 HD13 ' CE1' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -40.79 155.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -162.82 169.25 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -59.34 135.12 57.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.71 -18.47 34.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.42 -176.09 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 2' ' ' LYS . 4.2 tttt -137.18 141.74 42.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.438 ' CG1' HD12 ' A' ' 35' ' ' ILE . 9.7 mt -126.99 131.58 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.428 ' CG1' HG13 ' A' ' 3' ' ' VAL . 2.8 mm -112.41 122.77 67.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -93.73 129.09 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 m120 57.45 18.34 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t0 48.26 64.34 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -167.66 -43.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.421 ' CD1' HD13 ' A' ' 13' ' ' LEU . 2.6 mp -104.92 110.74 64.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 154.29 42.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.13 146.5 26.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -109.73 144.48 38.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 41' ' ' ILE . 46.3 t -77.56 120.47 28.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.429 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 16.0 t -86.94 -50.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -172.46 143.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.8 t -108.73 142.93 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.96 134.18 36.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HE3' ' CB ' ' A' ' 28' ' ' ALA . 22.2 tttt -129.0 141.9 51.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.489 ' CE1' ' NE2' ' A' ' 62' ' ' GLN . 47.9 m-85 -133.4 175.59 9.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 59' ' ' THR . 8.8 pt-20 -84.47 -46.12 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -122.89 147.78 46.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.386 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.466 ' N ' ' CG2' ' A' ' 100' ' ' VAL . 6.9 p90 -65.02 -32.88 74.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -50.9 -36.86 40.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' NE2' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -75.07 -39.87 60.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.444 HG21 ' CG1' ' A' ' 100' ' ' VAL . 74.1 t -51.66 -32.21 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mp -81.89 -25.51 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' GLN . 3.6 mmt85 -71.92 -47.67 50.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' CG ' ' OH ' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -82.2 -57.62 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -84.08 146.94 49.66 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.99 173.64 14.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.556 1.819 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.425 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 33.2 mt -105.43 -36.07 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.41 -43.2 79.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -65.8 -49.8 66.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.3 mt -57.48 -52.38 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -129.74 131.06 23.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.71 13.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.74 -18.07 19.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 55.6 mttt 50.92 64.36 8.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.425 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -172.79 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.2 m -106.26 152.01 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.76 -40.19 13.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -38.98 61.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -66.67 -52.22 47.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.84 -36.03 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -45.52 94.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -48.28 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -49.07 40.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 57' ' ' TYR . 46.9 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -159.44 143.58 15.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.17 111.01 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 101' ' ' LEU . 54.0 mt -109.37 133.2 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -110.32 114.69 28.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 9.8 p90 -124.24 154.64 39.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.429 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -122.65 111.42 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.248 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.78 125.53 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.99 117.53 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.509 0.195 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.5 155.82 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.47 HG12 ' CG1' ' A' ' 42' ' ' ILE . 74.0 t -120.19 124.25 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.517 ' CE2' HD13 ' A' ' 35' ' ' ILE . 4.3 m-85 -110.98 108.9 18.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -83.24 99.16 9.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -103.5 121.73 43.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.49 118.72 23.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.28 171.47 9.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.94 156.99 16.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -32.32 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.69 -53.07 60.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -75.03 -44.82 45.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.67 -42.16 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.17 -41.46 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . 0.402 ' SD ' ' CG ' ' A' ' 74' ' ' PRO . 4.0 mtt -60.68 -49.34 77.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.48 -51.39 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -51.43 -40.08 58.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.5 p -69.95 -28.15 65.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.21 -26.71 22.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -42.42 -36.19 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -75.29 110.2 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -45.67 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.1 mt -101.19 122.36 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -101.54 114.51 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -104.87 125.24 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -167.57 75.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 28' ' ' ALA . 1.4 m 36.96 -153.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.552 ' N ' ' CG2' ' A' ' 27' ' ' VAL . . . -143.2 53.02 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.495 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -80.41 173.83 7.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.495 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.03 164.04 34.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.11 -0.97 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -140.88 -56.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -29.62 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.27 -32.13 73.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.517 HD13 ' CE2' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -40.25 153.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -161.37 -179.19 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -73.18 141.73 47.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.78 -11.89 56.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -95.53 174.56 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -125.0 140.89 52.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.4 ' CG1' HD12 ' A' ' 35' ' ' ILE . 13.0 mt -118.88 124.82 73.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CG1' HG12 ' A' ' 3' ' ' VAL . 12.4 mm -104.13 126.82 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -105.9 124.91 50.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m120 59.77 19.66 8.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.41 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 61.5 t0 44.82 67.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -167.41 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt -103.78 110.52 64.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.83 41.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.16 150.16 30.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -112.95 139.94 48.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -73.86 121.11 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 14.5 t -86.93 -47.8 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -174.47 147.37 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.409 ' CG1' HD22 ' A' ' 101' ' ' LEU . 90.9 t -125.92 132.54 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 140.32 41.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -109.24 149.31 29.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.457 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 87.8 m-85 -143.84 176.45 9.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -104.92 136.08 45.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.6 m 63.5 130.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 35.3 p90 -60.56 -42.1 95.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.644 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -53.39 -46.73 69.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -55.95 -43.78 77.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 57' ' ' TYR . 4.3 t -56.81 -29.11 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.74 -24.44 49.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -80.68 -42.73 21.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.49 -58.38 3.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -84.65 153.84 61.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.44 14.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.434 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 33.7 mt -110.1 -34.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -51.56 -48.59 63.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -64.48 -56.56 13.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.5 mt -48.59 -52.63 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -132.3 125.08 19.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.402 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.96 -20.82 16.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.34 -23.5 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 6.1 mtmt 62.32 64.21 1.8 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 m -100.6 153.22 19.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -46.78 -41.44 15.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.04 -46.19 36.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -57.24 -50.67 72.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -56.45 -37.16 69.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -41.19 95.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -71.52 -53.81 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.84 -47.65 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 4.1 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 57' ' ' TYR . 7.0 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.409 HD22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 tt -125.2 133.37 52.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -112.72 106.36 14.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 38.0 mt -97.7 132.73 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.71 114.09 25.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -126.62 153.25 45.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.473 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 1.1 ttt180 -123.61 111.69 16.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.92 126.85 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.6 132.98 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.528 0.204 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -77.16 157.48 30.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.66 141.79 28.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.464 ' CD1' HD13 ' A' ' 35' ' ' ILE . 57.4 m-85 -133.7 119.61 19.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 mtm-85 -91.92 109.49 20.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 mt -106.76 121.57 44.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.408 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 5.9 m-85 -81.87 117.49 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 8' ' ' LEU . 7.3 mp -126.97 162.45 25.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -93.02 151.47 19.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -29.19 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.63 -53.14 56.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.5 m-85 -77.92 -41.22 37.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 tp -57.13 -42.13 80.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -46.52 -49.17 18.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -45.42 82.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -58.58 -40.93 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -51.04 67.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -59.74 -21.57 60.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 21' ' ' LYS . . . 96.77 -22.54 39.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -42.79 -29.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -86.54 117.17 25.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.29 -45.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -103.84 121.81 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -101.05 111.1 23.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.442 HG23 ' CD1' ' A' ' 72' ' ' ILE . 57.8 t -101.85 136.05 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.72 146.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.1 t -40.07 128.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.29 61.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -77.82 159.56 76.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.96 80.57 2.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -161.27 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -137.72 13.29 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -85.89 -24.27 26.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -79.16 -24.81 43.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 4' ' ' TYR . 5.4 tt -43.03 159.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -158.68 173.94 15.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 9.2 ttt180 -57.8 140.59 51.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.02 -21.17 32.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.64 178.6 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -134.17 148.97 51.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' ALA . 52.5 mt -131.45 129.79 62.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.3 mm -106.76 113.68 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -88.44 125.22 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.2 m120 63.25 16.13 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.68 64.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.16 -42.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.2 mt -110.2 110.61 58.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.45 41.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.13 145.33 25.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -108.32 138.37 44.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.7 t -75.79 121.98 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.8 t -86.21 -48.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.08 143.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -128.7 132.25 67.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -143.23 151.67 40.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -107.11 151.22 25.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.57 ' CD2' HG22 ' A' ' 63' ' ' VAL . 53.8 m-85 -130.01 -170.66 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -88.31 -109.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 p -85.09 150.0 25.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -43.63 -41.21 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -41.02 60.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.88 -42.8 89.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.57 HG22 ' CD2' ' A' ' 57' ' ' TYR . 40.9 t -60.98 -43.56 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.439 ' HG ' ' CD1' ' A' ' 69' ' ' ILE . 8.5 mp -64.1 -22.81 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -83.54 -44.29 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -67.59 -57.17 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.284 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' OE2' ' CG1' ' A' ' 63' ' ' VAL . 5.5 pt-20 -106.16 152.86 40.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.02 15.23 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.458 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 9.1 mt -106.25 -32.53 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.502 ' OD2' ' CE ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -49.78 -32.85 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -77.32 -50.82 12.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 73' ' ' PHE . 62.5 mt -57.51 -40.14 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 72' ' ' ILE . 29.6 m-85 -145.94 127.9 7.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.82 17.41 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -23.9 57.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.502 ' CE ' ' OD2' ' A' ' 70' ' ' ASP . 6.6 mttp 56.51 69.38 1.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.03 -169.85 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 m -110.7 150.76 28.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -41.83 16.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -37.51 63.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.66 -48.54 76.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.39 -34.06 60.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -46.51 63.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.23 -56.57 12.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.52 -41.9 10.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 100' ' ' VAL . 1.9 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.59 129.49 5.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.22 104.78 13.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 32' ' ' LEU . 8.8 mt -99.85 119.29 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -107.96 109.46 20.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 3.1 p90 -125.63 155.8 40.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -125.75 128.36 47.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.6 122.15 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.6 mt -74.14 112.57 10.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.495 0.188 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -105.72 158.96 16.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.452 HG13 ' CG1' ' A' ' 42' ' ' ILE . 77.5 t -119.02 128.41 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.479 ' CG ' HD13 ' A' ' 35' ' ' ILE . 6.1 m-85 -118.06 102.4 9.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -78.33 104.18 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.83 122.25 46.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -85.31 116.94 23.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mp -119.63 174.71 6.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.92 150.19 21.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.81 -32.45 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.07 -54.6 35.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.3 m-30 -72.66 -45.25 59.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.1 tp -52.9 -43.0 65.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -46.38 -48.52 18.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.431 ' HE3' ' CG ' ' A' ' 74' ' ' PRO . 1.4 mpt? -56.98 -41.58 78.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.431 HG23 ' CD ' ' A' ' 21' ' ' LYS . 92.2 t -64.15 -37.28 79.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.2 mmtt -64.83 -40.68 95.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -34.9 74.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.28 -12.8 26.13 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.83 -33.67 50.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.431 ' CD ' HG23 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -84.4 109.74 18.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.73 -43.41 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.85 118.48 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -100.94 111.24 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -98.25 129.53 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -173.93 147.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 m -40.56 121.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.39 -84.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER 56.49 160.21 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.95 164.95 32.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 83.77 -9.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 mt -138.7 -59.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -48.57 -29.64 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -34.69 72.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.479 HD13 ' CG ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -40.34 154.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.27 173.89 15.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -66.78 140.68 57.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.2 -24.7 30.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -72.1 -175.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 12.4 ttpt -137.47 144.48 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.421 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 94.4 mt -124.7 125.99 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.452 ' CG1' HG13 ' A' ' 3' ' ' VAL . 2.7 mm -104.12 111.38 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -88.06 126.59 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.8 m120 60.6 15.77 5.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 49.13 62.65 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.96 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.4 mt -109.07 110.7 60.69 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.03 41.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.08 146.48 26.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -109.05 137.93 46.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.5 t -72.21 116.53 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.7 t -78.82 -51.18 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -165.11 146.09 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -118.45 129.98 73.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 139.02 34.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 tttp -110.99 146.53 36.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HB3' ' CG ' ' A' ' 62' ' ' GLN . 16.3 m-85 -154.55 -170.88 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 6.8 pt-20 -136.06 147.48 47.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.6 m 69.14 124.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 18.8 p90 -48.83 -35.03 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.521 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -56.52 -35.58 68.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.472 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 22.8 tp60 -62.0 -55.43 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.439 ' CG2' HG12 ' A' ' 100' ' ' VAL . 9.1 t -61.24 -32.53 53.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.401 ' HG ' ' CG1' ' A' ' 69' ' ' ILE . 5.7 mp -74.7 -24.96 58.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.33 -45.24 20.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -51.59 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -98.85 147.37 33.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.3 14.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 3.4 mt -101.21 -34.29 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.14 -29.75 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -86.19 -60.03 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 89.9 mt -47.16 -39.93 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.54 141.05 37.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.431 ' CG ' ' HE3' ' A' ' 15' ' ' MET . 18.2 Cg_endo -75.06 -42.51 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.69 -17.02 19.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 pttt 43.4 65.79 5.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.799 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -95.09 153.09 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -47.1 -40.42 15.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -38.15 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -37.09 81.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.06 86.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -45.52 92.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -69.6 -47.76 62.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -48.23 -45.7 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.47 -25.52 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -106.18 32.12 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -122.27 -49.65 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.78 124.03 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 54.96 87.96 0.13 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.58 -59.44 1.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -79.38 71.61 5.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 141.85 28.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.08 165.72 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 96' ' ' TYR . 6.2 p90 -56.76 132.37 51.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 161.67 18.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.502 ' CG ' ' N ' ' A' ' 99' ' ' GLY . 71.7 t80 -165.35 172.28 12.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.502 ' N ' ' CG ' ' A' ' 98' ' ' TYR . . . 71.74 112.6 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 111.06 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.439 HG12 ' CG2' ' A' ' 63' ' ' VAL . 90.4 t -137.67 85.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.69 126.16 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.67 104.89 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 7.0 mt -96.94 118.51 43.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.73 113.11 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 1.9 p90 -126.42 153.08 45.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.455 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 1.8 ttp180 -121.25 109.61 15.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.4 p -53.1 135.17 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.72 130.51 38.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 138.86 -84.62 0.23 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -44.4 162.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.59 132.53 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.69 -174.19 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' CE ' ' HE2' ' A' ' 40' ' ' LYS . 15.4 ttt . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.486 0.184 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -71.7 159.91 33.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.401 HG13 ' CG1' ' A' ' 42' ' ' ILE . 53.8 t -118.63 129.9 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.518 ' CG ' HD11 ' A' ' 35' ' ' ILE . 17.8 m-85 -118.73 113.69 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -89.55 107.03 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.34 125.76 51.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -84.0 117.59 23.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -121.68 171.5 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 4.0 mttm -99.17 145.24 27.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -27.65 1.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.44 -48.95 65.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -80.75 -39.39 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.8 tp -58.86 -40.82 85.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.47 -45.29 36.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mtt -60.68 -40.24 91.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.403 HG13 ' CD2' ' A' ' 43' ' ' PHE . 68.7 t -67.22 -41.54 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -39.9 87.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.6 p -63.0 -30.15 71.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.35 -13.48 54.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -59.75 -52.27 66.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.8 99.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.48 -47.88 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 mp -96.5 129.39 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -113.95 111.02 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.458 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 8.8 m -121.37 103.06 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -145.57 59.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 t 62.18 141.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.36 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.16 153.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -74.99 165.33 31.55 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 80.98 -5.43 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.489 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -140.45 -59.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -36.97 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -34.92 66.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.518 HD11 ' CG ' ' A' ' 4' ' ' TYR . 1.1 tt -41.19 156.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.08 171.09 21.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 144.96 52.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.51 -18.92 49.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.47 177.91 7.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 0.5 OUTLIER -132.82 144.2 50.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 19.4 mt -124.71 131.8 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.401 ' CG1' HG13 ' A' ' 3' ' ' VAL . 1.1 mm -106.59 116.73 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.43 ' CZ ' ' CZ ' ' A' ' 105' ' ' PHE . 50.7 m-85 -86.61 119.84 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 65.08 13.32 8.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 64.2 t0 54.73 59.69 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.32 -45.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mt -104.29 110.67 64.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.45 42.59 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.12 145.13 25.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -109.78 139.14 45.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.8 t -72.3 127.23 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.33 -45.53 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.97 151.02 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 11.6 p -116.38 136.21 54.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -129.47 138.35 51.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.454 ' CB ' HD21 ' A' ' 101' ' ' LEU . 26.0 tttt -126.59 141.41 51.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.465 ' CB ' HG11 ' A' ' 100' ' ' VAL . 32.1 m-85 -154.28 166.46 33.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -97.91 -60.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 16.5 m -68.3 159.71 30.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.614 ' CE1' ' CD2' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -92.37 -48.71 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.948 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -52.38 -35.94 52.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -57.13 -47.57 80.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.477 ' CG2' ' CG1' ' A' ' 100' ' ' VAL . 13.2 t -56.0 -36.09 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.23 -24.12 51.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -44.15 42.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.1 -54.44 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.64 152.4 44.97 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.96 9.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.764 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 56.3 mt -113.73 -35.48 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -57.78 -41.11 81.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -68.84 -51.19 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.7 mt -51.32 -50.24 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -141.05 133.71 14.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -19.95 17.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.85 -23.23 63.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.41 65.46 2.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.05 167.9 25.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.4 m -93.99 154.56 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.79 -39.83 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.84 -45.62 42.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -49.4 72.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.83 65.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.496 ' O ' ' CG ' ' A' ' 87' ' ' HIS . 1.2 tp -57.2 -51.5 69.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -55.86 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.8 -44.6 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.614 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 3.7 m-85 -72.36 -58.46 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 52.3 m170 -45.04 -51.21 10.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.594 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.84 110.15 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -174.66 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 89' ' ' MET . 31.9 m-85 -118.26 161.99 32.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -69.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.41 157.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 66.48 110.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 107.979 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -54.82 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -156.66 109.31 2.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -171.88 168.12 6.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -62.75 150.55 41.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.351 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -159.42 -49.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -120.51 128.22 7.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.477 ' CG1' ' CG2' ' A' ' 63' ' ' VAL . 79.6 t -153.94 73.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -123.87 116.72 23.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -97.96 120.94 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.448 ' CD1' HG21 ' A' ' 35' ' ' ILE . 5.8 mt -118.19 119.85 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -98.71 117.87 34.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.544 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 3.0 p90 -132.06 148.45 52.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -118.43 122.76 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 p -65.06 134.4 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.47 157.1 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.28 -106.14 2.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.08 153.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -50.9 162.27 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -178.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ttt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.465 0.174 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -90.99 154.59 19.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.448 HG13 ' CG1' ' A' ' 42' ' ' ILE . 40.4 t -112.77 134.29 55.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.499 ' CD1' HD11 ' A' ' 35' ' ' ILE . 12.9 m-85 -126.84 113.2 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -87.34 106.54 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.44 124.22 49.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -84.02 117.16 23.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.9 mp -122.34 165.64 15.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -89.01 146.22 25.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.25 -36.51 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.3 -52.94 63.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.551 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.5 m-30 -73.6 -45.68 51.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 tp -53.29 -42.88 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -44.84 -46.96 11.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.421 ' CE ' ' HG2' ' A' ' 74' ' ' PRO . 2.2 mtt -59.86 -43.31 94.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.421 HG21 ' CB ' ' A' ' 21' ' ' LYS . 64.4 t -60.46 -39.93 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.1 -48.86 76.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 p -59.15 -35.45 73.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.96 -11.69 27.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -58.49 -32.06 68.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.421 ' CB ' HG21 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -84.33 111.42 19.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -129.47 -45.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mp -113.55 120.45 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 5.3 pt-20 -114.63 117.22 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -121.45 141.38 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -164.56 -70.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.25 174.09 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.72 28.62 5.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.8 160.59 0.39 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 80.31 2.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.15 -55.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.434 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 0.9 OUTLIER -105.79 -21.97 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -56.42 -25.53 50.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -28.57 61.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.499 HD11 ' CD1' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -43.7 161.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -166.7 171.52 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -62.31 141.58 58.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.39 -25.18 24.04 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -82.2 179.84 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 5.2 ttpt -134.08 148.65 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.411 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 31.9 mt -122.21 148.98 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.448 ' CG1' HG13 ' A' ' 3' ' ' VAL . 3.1 mm -124.02 115.3 44.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -91.37 124.71 35.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.3 m120 60.58 15.58 5.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 49.63 58.95 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tp -161.01 -44.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mt -104.81 110.72 64.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.99 41.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.57 147.28 27.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -110.87 143.99 40.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.6 t -75.17 129.41 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.4 t -99.81 -47.08 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 54' ' ' VAL . 3.2 tm-20 -160.08 164.78 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.138 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 49.6 t -150.54 132.35 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.52 156.71 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -122.34 140.96 52.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.598 ' CE1' ' OE1' ' A' ' 62' ' ' GLN . 63.7 m-85 -143.29 160.32 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -106.48 -16.32 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -117.05 124.92 50.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -57.23 -49.94 74.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -39.74 53.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -56.98 -38.05 72.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.45 HG21 ' CG1' ' A' ' 100' ' ' VAL . 89.1 t -63.64 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 69' ' ' ILE . 11.0 mp -80.94 -24.63 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -74.66 -47.45 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.14 -55.69 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -91.54 153.18 44.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 64' ' ' LEU . 27.6 mt -108.91 -32.87 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.53 -25.75 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -86.85 -52.81 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.4 mt -55.14 -42.44 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -140.78 122.47 9.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.421 ' HG2' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -75.0 -20.65 16.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.08 -19.83 61.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 8.0 mtmt 62.9 64.4 1.54 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.02 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.8 m -100.86 153.66 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.9 -40.58 14.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -44.22 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -60.87 -49.26 78.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.63 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -49.38 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -52.34 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -44.09 -45.84 8.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -83.69 48.98 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -167.59 -54.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.582 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -51.16 -40.72 59.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -61.28 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -135.97 147.69 61.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.23 13.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.85 73.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.05 83.43 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.57 -55.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 63.02 82.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -170.83 176.58 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -59.42 111.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.2 156.79 12.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 39.91 -140.06 0.95 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.45 ' CG1' HG21 ' A' ' 63' ' ' VAL . 67.2 t 61.08 56.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 0.785 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.56 117.39 31.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -99.37 105.68 17.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 17.7 mt -102.05 123.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -102.64 128.86 49.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.3 p90 -143.15 152.03 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -123.51 126.67 47.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.65 126.48 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.9 mt -81.04 98.32 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 167.63 -84.62 0.1 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.88 164.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.46 152.39 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.83 178.53 4.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.544 0.212 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' LYS . 2.1 tttp -80.03 162.65 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.488 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 72.9 t -124.52 122.68 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.516 ' CG ' HD11 ' A' ' 35' ' ' ILE . 35.9 m-85 -110.53 122.24 47.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 mtm-85 -94.4 101.33 13.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.25 120.19 36.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -80.52 116.85 20.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.6 mp -126.72 167.26 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.44 159.89 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.68 -36.05 71.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.59 -53.92 52.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.6 m-85 -73.87 -44.41 55.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.7 tp -52.8 -43.58 66.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.84 -47.89 11.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.7 mtt -58.32 -42.49 86.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.31 -37.67 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -70.17 -40.43 74.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.6 p -59.17 -24.41 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.056 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.4 -13.5 65.54 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -59.41 -47.57 84.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -63.78 126.9 29.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -45.88 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.9 mt -114.13 124.85 71.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -119.81 112.26 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.2 m -84.07 111.47 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.59 -170.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.464 ' HA ' ' CA ' ' A' ' 99' ' ' GLY . 11.8 t -104.32 22.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 29' ' ' TYR . . . 54.45 -107.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER 52.44 172.2 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 87.73 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.29 -64.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.88 15.98 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -70.27 -26.48 63.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -74.04 -25.53 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.516 HD11 ' CG ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -41.59 152.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.62 178.94 9.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -68.47 142.99 55.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.42 -15.61 55.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.117 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.19 -162.99 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -148.83 145.56 27.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ALA . 76.5 mt -125.32 127.9 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.488 ' CG1' ' CG1' ' A' ' 3' ' ' VAL . 3.4 mm -106.93 106.81 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -79.48 121.94 25.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.59 13.9 6.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 37.6 t0 55.28 52.3 11.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.56 -46.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mt -103.14 110.82 64.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.22 42.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.18 146.48 26.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -107.02 139.65 41.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.27 120.65 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.12 -46.54 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -172.53 145.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.4 t -125.57 142.18 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.88 142.57 34.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -114.55 157.4 23.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.421 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 42.9 m-85 -156.49 172.43 18.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.04 -53.35 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.3 m -81.03 136.24 35.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 37.7 p90 -74.19 -35.29 63.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -62.43 -40.04 95.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -41.36 80.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.436 ' CG2' HG12 ' A' ' 100' ' ' VAL . 76.5 t -59.11 -29.2 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 69' ' ' ILE . 6.9 mp -77.38 -24.28 50.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.77 -45.44 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.35 -59.36 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -89.53 150.91 45.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 176.59 9.71 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.455 HD11 ' CD2' ' A' ' 64' ' ' LEU . 64.5 mt -111.94 -34.88 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.18 -41.0 78.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -69.86 -52.13 27.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.02 -50.54 69.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.1 126.37 24.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.33 15.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.49 -16.16 62.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt 52.75 66.88 4.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.45 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 -179.92 5.47 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 m -100.49 154.02 18.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.86 -40.52 14.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -43.77 53.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -62.28 -41.16 98.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.45 -39.14 75.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.438 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -59.43 -50.9 72.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.69 -48.26 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -49.03 61.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.435 ' O ' ' CG ' ' A' ' 87' ' ' HIS . 4.2 m-85 -75.3 56.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.435 ' CG ' ' O ' ' A' ' 86' ' ' PHE . 1.1 m-70 176.84 -56.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.579 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -65.21 88.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.0 ptm 179.94 121.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 51.78 87.5 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.18 27.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -170.44 68.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 54.02 78.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 108.034 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 mttp 60.73 115.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -65.24 146.03 55.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -137.53 -160.11 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 63.86 165.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.475 ' CG ' ' N ' ' A' ' 99' ' ' GLY . 41.3 p90 -115.37 -47.24 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.475 ' N ' ' CG ' ' A' ' 98' ' ' TYR . . . 50.08 97.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.436 HG12 ' CG2' ' A' ' 63' ' ' VAL . 83.7 t -145.58 96.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 102' ' ' ALA . 1.2 tt -147.71 131.49 17.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.418 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -107.24 113.0 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 24.4 mt -113.43 127.92 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -112.6 112.8 24.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 8.1 p90 -122.78 150.66 42.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.82 109.14 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.65 126.12 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 5.0 mt -91.92 106.37 18.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.73 -89.02 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -48.41 159.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 0.735 . . . . 0.0 110.262 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.49 155.06 41.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 176.18 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tmm? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.525 0.202 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 163.42 28.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.587 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 75.8 t -130.08 137.23 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -120.12 122.98 42.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 mtm-85 -91.89 105.31 17.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -102.15 117.76 35.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -80.64 117.62 21.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mp -123.16 175.44 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.536 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 20.9 mmtm -96.09 156.0 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -26.94 66.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.93 -46.8 67.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -80.33 -43.3 21.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.2 tp -57.18 -41.0 78.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -49.23 -47.21 46.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -39.83 79.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.461 HG21 ' CB ' ' A' ' 21' ' ' LYS . 98.7 t -66.12 -37.12 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -45.94 90.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.5 p -59.79 -25.98 65.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.39 -0.97 63.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -67.86 -32.72 73.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.461 ' CB ' HG21 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -80.14 106.62 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.96 -38.33 4.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.1 mt -111.95 125.4 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -100.94 111.09 23.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.3 t -94.37 112.55 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.47 139.44 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.2 m -45.15 109.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' HB1' ' CD1' ' A' ' 101' ' ' LEU . . . -42.13 -82.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER 57.66 160.48 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 83.68 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.96 -62.04 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.241 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -135.96 12.82 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -71.71 -33.4 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.66 -25.64 60.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 10.9 tt -42.68 163.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -170.84 169.06 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -49.86 142.63 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.65 -30.51 9.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -74.73 -176.6 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -139.43 140.71 37.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.402 HG21 ' N ' ' A' ' 42' ' ' ILE . 6.4 mt -119.48 142.84 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.587 ' CG1' ' CG1' ' A' ' 3' ' ' VAL . 3.0 mm -121.21 119.54 59.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -95.17 125.98 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.7 m120 60.99 15.63 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.5 t0 49.08 59.15 4.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -46.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.4 mt -100.84 110.37 60.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.29 42.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.811 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.9 153.51 35.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -114.07 146.75 39.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 18.8 t -82.63 120.63 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.5 t -89.53 -46.68 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 54' ' ' VAL . 6.5 tp10 -170.61 152.59 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 53' ' ' GLU . 5.3 p -121.69 138.7 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 144.73 47.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' CD ' HD13 ' A' ' 101' ' ' LEU . 7.2 ttpp -133.99 148.16 51.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 80.0 m-85 -159.11 177.14 11.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.6 mt-10 -105.24 137.0 43.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 1.6 m 78.29 164.22 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -83.89 -44.05 14.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -52.06 -44.04 64.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 29.2 tp60 -54.19 -54.3 41.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.449 ' CG2' HG23 ' A' ' 100' ' ' VAL . 3.6 t -61.29 -38.3 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.5 mp -64.36 -31.38 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -81.25 -39.01 25.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.35 -54.54 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -103.75 156.92 34.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.424 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 52.0 mt -113.13 -38.02 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.05 -31.01 60.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -79.04 -55.09 5.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 54.5 mt -50.74 -51.45 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -130.73 128.31 22.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.33 16.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.41 -21.04 61.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 13.9 mtmt 58.17 65.02 3.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.7 m -105.44 154.61 20.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.83 -37.67 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -74.21 -45.23 49.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -55.47 -45.37 76.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.64 69.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -51.34 64.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -66.19 -57.91 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -44.16 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -87.27 53.76 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -174.12 -55.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.608 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -46.81 -54.65 9.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.3 mtm -38.59 131.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 53.76 86.73 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.84 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -179.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 57.51 71.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.022 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -72.86 83.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.57 160.02 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -82.78 151.12 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -162.28 165.53 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -160.02 -162.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 100' ' ' VAL . . . 162.18 -64.89 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 59' ' ' THR . 2.3 p 40.24 87.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.776 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.477 ' CD1' ' HB1' ' A' ' 28' ' ' ALA . 6.3 tp -145.76 132.91 20.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -115.5 105.43 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.9 mt -99.72 130.65 48.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -105.88 122.03 45.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -135.41 155.94 49.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.25 116.58 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -57.98 127.15 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.3 mt -82.88 99.29 9.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 139.5 -103.14 0.37 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -48.86 172.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 112' ' ' LYS . 0.7 OUTLIER 56.93 163.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.415 ' N ' ' CG ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -59.24 167.02 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.516 0.198 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -89.24 155.41 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.47 HG11 ' CD1' ' A' ' 42' ' ' ILE . 71.7 t -111.63 123.97 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -112.79 113.06 24.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -90.67 102.16 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.94 132.13 50.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -88.53 117.0 27.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mp -120.12 172.56 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 3.7 mttp -95.85 154.02 17.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.36 -34.15 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.08 -49.66 76.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.558 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -76.83 -45.28 29.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.438 HD13 ' CD1' ' A' ' 47' ' ' ILE . 14.3 tp -56.29 -40.4 74.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.07 -48.51 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.19 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.8 t -71.73 -37.74 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.407 ' CG ' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.08 -44.56 95.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 p -59.22 -30.73 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.77 -9.28 55.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -58.2 -38.01 75.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -74.8 121.4 21.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.05 -45.66 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.6 mt -108.03 117.09 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -101.02 111.09 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 t -99.27 125.82 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.52 156.0 13.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.4 ' HA ' ' CA ' ' A' ' 99' ' ' GLY . 40.1 t -46.07 118.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.67 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.572 ' CD1' ' HD2' ' A' ' 30' ' ' PRO . 9.8 t80 60.57 141.85 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.572 ' HD2' ' CD1' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.0 82.87 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.782 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 20.0 tp60 -171.14 -51.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 mt -110.18 -24.74 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -20.65 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -74.52 -24.4 58.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -43.59 158.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.91 162.25 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -52.38 142.62 16.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 98.07 -19.97 52.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.31 178.09 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.8 tttp -132.68 144.62 50.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 49' ' ' ALA . 18.0 mt -125.93 142.22 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CD1' HG11 ' A' ' 3' ' ' VAL . 1.9 mm -120.95 109.85 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.4 ' CE2' ' CE1' ' A' ' 105' ' ' PHE . 24.5 m-85 -86.32 122.99 31.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 60.37 16.23 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 23.6 t0 49.3 67.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -169.11 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.438 ' CD1' HD13 ' A' ' 13' ' ' LEU . 31.2 mt -110.23 110.7 58.26 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.38 43.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.97 152.35 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -112.48 147.87 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 39.2 t -83.27 115.8 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 t -80.58 -46.58 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -170.22 141.38 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.0 t -127.98 128.98 69.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.0 144.95 37.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -103.74 152.74 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -153.26 176.02 12.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -114.71 149.29 37.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.401 ' CG2' ' HG3' ' A' ' 61' ' ' ARG . 2.4 m 63.52 133.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 32.5 p90 -67.56 -35.73 79.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.536 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -60.62 -40.02 90.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -57.2 -50.38 73.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.494 ' CG2' ' CG1' ' A' ' 100' ' ' VAL . 51.8 t -60.56 -31.95 50.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mp -79.24 -14.62 58.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -89.39 -39.37 13.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.15 -62.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.249 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.53 155.93 90.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 18.1 Cg_endo -75.05 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.42 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 85.1 mt -117.4 -39.4 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -52.01 -39.13 58.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -73.19 -53.99 9.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 68' ' ' PRO . 79.1 mt -52.83 -44.93 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -138.78 126.88 13.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -22.03 15.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -59.72 -22.14 61.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 35.6 mtmt 59.15 64.9 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.42 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.95 170.99 19.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.2 m -102.6 153.93 19.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.12 -39.8 14.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -43.35 55.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.82 78.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.16 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.479 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -58.76 -45.92 88.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -71.09 -41.16 70.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -58.19 -46.25 86.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -85.13 59.89 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 178.81 -54.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -48.56 -58.05 5.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 7.4 ptm -42.32 126.35 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 50.84 93.26 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.86 8.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.12 -61.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -74.72 151.64 39.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 107.975 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.1 41.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -143.88 -65.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -136.07 177.42 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 155.38 49.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -152.86 157.55 40.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.4 ' CA ' ' HA ' ' A' ' 27' ' ' VAL . . . 121.72 71.92 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.494 ' CG1' ' CG2' ' A' ' 63' ' ' VAL . 22.3 t -113.59 108.26 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -159.03 119.0 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.04 105.08 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 14.0 mt -103.56 124.18 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -109.49 115.35 29.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.9 p90 -128.07 155.32 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -124.68 118.53 26.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -57.98 136.26 21.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.2 mt -99.47 79.24 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.82 -80.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.087 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.8 169.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -46.39 170.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 14.2 tptt 57.93 160.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.435 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' HE3' ' CE ' ' A' ' 40' ' ' LYS . 3.1 tmm? . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.537 0.208 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -84.7 158.83 20.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.531 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 77.5 t -125.36 142.47 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -125.5 103.8 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -84.55 101.03 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.3 mt -99.15 123.11 43.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.32 116.8 21.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.4 mp -121.77 174.17 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -99.08 169.22 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.52 -36.34 78.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.59 -46.28 86.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -78.74 -43.77 24.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 32.0 tp -52.85 -44.18 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -44.82 -41.84 7.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.1 mtt -62.05 -45.3 94.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.407 ' CG2' ' HE2' ' A' ' 21' ' ' LYS . 48.1 t -64.68 -43.56 96.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -40.43 97.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -59.25 -29.82 67.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.02 -8.7 59.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.133 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -64.83 -37.36 87.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HE2' ' CG2' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -75.19 107.45 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.81 -42.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 5.2 mt -101.79 125.9 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -100.86 111.21 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.2 t -98.56 105.58 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 -171.59 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 29' ' ' TYR . 31.0 m -97.02 32.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 42.36 31.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.521 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 2.8 t80 -46.25 151.63 0.93 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.04 83.46 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.65 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.497 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -105.8 -31.39 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -30.84 20.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.89 -29.2 65.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.497 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 3.3 tt -43.35 164.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -164.71 170.0 16.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.409 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 2.4 ttt180 -57.83 140.91 50.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.409 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.18 -28.05 14.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -73.97 -177.8 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.438 ' CE ' ' HE3' ' A' ' 1' ' ' MET . 15.8 ttpt -135.95 146.72 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.413 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 70.5 mt -128.16 125.29 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.531 ' CG1' ' CG1' ' A' ' 3' ' ' VAL . 2.6 mm -104.55 122.53 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -94.38 116.16 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.958 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 67.1 15.07 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.1 t0 54.88 53.97 9.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.43 -50.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -100.71 110.74 61.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.71 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.2 144.8 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -108.26 139.76 42.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 20.4 t -73.32 118.61 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.0 t -83.07 -48.95 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -176.78 146.96 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 p -124.05 135.05 64.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.66 139.82 33.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -107.86 147.66 30.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.43 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 42.6 m-85 -140.4 -174.31 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -111.98 124.47 52.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.3 m 69.29 130.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -54.46 -28.95 47.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.33 -48.18 65.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.407 ' HG2' ' NH2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -56.6 -48.18 77.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.491 ' CG2' ' CG2' ' A' ' 100' ' ' VAL . 18.8 t -59.29 -29.13 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HB3' ' CE1' ' A' ' 79' ' ' PHE . 2.4 mm? -77.51 -16.36 58.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.407 ' NH2' ' HG2' ' A' ' 62' ' ' GLN . 0.7 OUTLIER -88.47 -43.88 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -76.15 -59.25 2.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -84.09 146.16 47.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 174.95 11.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.511 ' CG1' ' CD1' ' A' ' 64' ' ' LEU . 4.3 mt -111.46 -33.36 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.09 -29.75 65.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.29 -52.26 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.48 ' O ' ' CD1' ' A' ' 73' ' ' PHE . 81.9 mt -49.71 -40.34 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 72' ' ' ILE . 29.5 m-85 -146.97 137.59 12.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -26.21 11.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -17.31 19.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 15.1 mtmt 48.08 64.21 8.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.04 -177.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -97.9 153.4 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.568 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -46.61 -41.18 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -75.13 -46.0 37.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -56.97 -52.93 63.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -50.93 -39.87 55.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.96 -34.92 71.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.86 -58.52 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -55.94 -30.7 62.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -69.67 -51.67 32.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -66.2 -56.3 12.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -41.81 -52.01 4.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -56.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -116.98 93.75 42.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.9 144.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -52.86 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -166.12 104.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -169.41 116.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -110.92 116.96 32.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? -141.45 178.02 7.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -52.17 169.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.93 -50.76 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.491 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 2.6 p -43.8 119.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.7 145.35 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -130.4 105.56 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 6.0 mt -101.44 116.67 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -99.47 112.56 24.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.513 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 4.7 p90 -126.68 151.28 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -119.88 104.02 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -52.84 130.11 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.2 mt -96.29 140.21 31.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 129.09 -85.16 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.75 172.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 112' ' ' LYS . 12.6 t70 -40.64 157.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 52.5 tptt 57.62 161.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 24.5 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ttt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.485 0.183 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -73.85 155.08 39.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.464 HG13 ' CD1' ' A' ' 42' ' ' ILE . 77.5 t -120.57 127.72 75.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.429 ' CE1' HD13 ' A' ' 35' ' ' ILE . 13.8 m-85 -116.58 103.63 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -83.0 103.37 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt -104.01 121.47 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.45 ' CD1' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER -83.21 118.68 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.7 mp -123.11 -179.64 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -101.83 165.26 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -38.16 88.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.4 -49.49 72.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -80.85 -46.58 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.49 -38.79 63.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.19 -40.29 32.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.454 ' CE ' ' HG2' ' A' ' 74' ' ' PRO . 14.3 mtt -61.46 -47.57 85.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 93.9 t -58.38 -41.3 81.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -65.66 -38.5 89.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.7 p -64.96 -26.43 68.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.39 -12.4 61.64 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -60.66 -33.92 73.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -79.99 103.92 10.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.76 -44.02 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.5 mt -105.9 128.19 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -101.97 114.07 27.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.1 t -106.74 136.02 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.21 157.3 3.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 m -45.5 133.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -77.93 58.71 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.535 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -81.08 164.89 48.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.535 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.5 Cg_endo -74.93 84.46 1.65 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.12 -43.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -113.27 -31.17 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -25.05 23.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.79 -31.8 68.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' CE1' ' A' ' 4' ' ' TYR . 0.2 OUTLIER -40.48 152.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -156.18 174.3 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.441 ' HA ' ' CG1' ' A' ' 51' ' ' VAL . 10.7 ttt180 -68.2 142.99 55.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.16 -25.56 27.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.39 -175.32 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 0.1 OUTLIER -144.03 146.03 32.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.406 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 6.0 mt -123.35 138.59 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CD1' HG13 ' A' ' 3' ' ' VAL . 1.7 mm -111.77 113.98 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -87.43 125.98 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 m120 57.85 17.67 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.45 ' OD1' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 48.34 66.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tp -168.87 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -107.46 110.67 63.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.76 42.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.28 149.01 28.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -114.41 145.22 42.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.441 ' CG1' ' HA ' ' A' ' 37' ' ' ARG . 89.6 t -78.55 113.82 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.2 t -77.56 -46.21 27.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -170.96 145.71 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.0 p -112.84 143.65 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -139.24 138.23 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.461 ' HG3' ' CD2' ' A' ' 101' ' ' LEU . 4.5 tttt -128.83 141.17 51.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -137.67 -171.93 3.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -107.64 -63.91 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 p -85.84 155.51 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.7 -41.97 20.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -38.97 58.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -35.56 80.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.465 HG22 ' CG2' ' A' ' 100' ' ' VAL . 23.9 t -65.1 -37.24 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 9.0 mp -76.38 -6.67 52.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -94.19 -42.54 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.48 -47.69 10.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.2 mp0 -92.76 146.2 31.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.39 14.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.428 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 47.7 mt -112.74 -33.03 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -60.05 -46.22 90.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -66.32 -49.99 65.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.3 mt -56.65 -54.13 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -123.49 127.18 25.63 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.454 ' HG2' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.94 -18.63 18.73 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.532 1.806 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -9.58 58.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 6.3 mtmp? 47.47 64.31 8.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -101.6 153.23 19.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -46.65 -41.56 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -44.78 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.239 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -58.88 -52.59 65.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.528 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -48.95 -41.09 32.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -40.19 72.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -60.69 -58.95 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -54.16 -48.66 70.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -49.76 136.33 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER 82.94 -50.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.644 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.1 t-20 -53.55 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.41 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 70.7 mtm 65.11 -69.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 34.5 p90 -119.91 77.53 22.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 92' ' ' LYS . 18.4 Cg_endo -75.05 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER 87.46 -66.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -95.49 168.97 10.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 108.022 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -43.45 157.03 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.54 106.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -168.57 101.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.5 148.92 6.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.473 ' O ' ' CG ' ' A' ' 98' ' ' TYR . 1.6 p90 -174.28 128.77 0.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 139.43 120.37 1.77 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 63' ' ' VAL . 2.4 p -154.19 84.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.461 ' CD2' ' HG3' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -148.45 120.31 8.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -106.85 108.15 19.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 48.5 mt -104.19 132.98 49.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -109.47 130.3 55.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 3.2 p90 -145.5 150.9 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.417 ' CG ' ' O ' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -122.43 112.78 18.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.6 p -55.82 118.27 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.38 123.36 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.11 -89.06 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.5 163.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -51.56 172.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.92 178.58 4.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.496 0.189 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 158.66 32.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.464 HG13 ' CG1' ' A' ' 42' ' ' ILE . 74.2 t -119.95 134.02 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -121.93 114.81 21.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -87.85 105.29 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.23 125.66 50.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -83.92 118.93 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp -120.53 179.64 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.54 153.05 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -27.64 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.28 -52.52 32.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.2 m-30 -74.98 -40.4 60.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.9 tp -58.11 -43.99 87.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.56 -49.23 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -39.54 90.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 70.4 t -64.68 -38.72 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -41.55 93.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.2 p -59.75 -23.69 63.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.05 -7.25 73.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -62.53 -37.47 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -73.0 107.56 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.89 -40.88 2.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 66.6 mt -102.53 121.39 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -102.63 112.1 24.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 49.2 t -99.59 122.73 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -157.61 141.89 16.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -42.32 135.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.69 60.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -82.68 163.52 51.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.99 81.88 2.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.01 -49.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mt -110.64 -24.23 10.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -23.44 57.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -29.96 63.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.415 HD13 ' CG1' ' A' ' 41' ' ' ILE . 0.4 OUTLIER -42.28 159.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.97 163.9 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.09 135.72 56.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.95 -27.68 11.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.36 -175.59 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.07 154.06 50.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.415 ' CG1' HD13 ' A' ' 35' ' ' ILE . 24.6 mt -135.44 139.47 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.464 ' CG1' HG13 ' A' ' 3' ' ' VAL . 1.5 mm -120.13 116.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -86.8 122.8 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 63.45 14.23 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER 52.64 56.93 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.27 -46.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.0 mt -102.38 110.67 63.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.38 40.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.29 143.97 24.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.76 147.59 30.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.98 121.86 31.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.3 t -89.84 -49.8 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -163.29 148.46 11.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.7 p -128.24 127.96 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 57' ' ' TYR . 1.9 mmtp -142.81 149.08 38.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -126.69 151.99 47.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.52 ' CE1' ' HD2' ' A' ' 55' ' ' LYS . 45.6 m-85 -150.5 179.58 8.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.544 ' O ' ' CG2' ' A' ' 59' ' ' THR . 2.3 mt-10 -106.89 156.77 18.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.544 ' CG2' ' O ' ' A' ' 58' ' ' GLU . 14.7 t 52.99 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 18.5 p90 -99.63 -39.5 8.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.609 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -50.65 -36.28 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.475 ' HB2' ' CG2' ' A' ' 59' ' ' THR . 0.4 OUTLIER -74.56 -52.64 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 57' ' ' TYR . 3.0 t -51.77 -30.22 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.9 mp -73.36 -29.11 62.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' GLN . 2.1 mmp_? -77.2 -39.49 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 2.7 tt0 -76.52 -56.5 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -92.85 151.34 40.7 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.462 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 172.58 16.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 22.5 mt -112.62 -31.3 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.24 -34.64 76.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -75.6 -56.17 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.5 mt -50.31 -44.62 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -135.36 130.95 19.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -22.13 15.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -20.58 52.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt 50.74 64.94 7.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.02 -169.97 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -111.86 153.48 26.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.37 -40.64 17.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.59 57.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -49.01 77.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.25 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -51.28 67.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -54.84 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -41.66 -46.51 3.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.52 -50.95 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -54.43 -57.32 11.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.595 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.25 93.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.61 146.42 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 52.38 98.32 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.32 11.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 79.72 109.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 60.25 94.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.039 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -70.49 70.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.36 69.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.57 170.49 22.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.88 141.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 98' ' ' TYR . 24.8 p90 -170.65 116.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.44 144.52 15.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 57' ' ' TYR . 9.1 p -156.75 56.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.4 ' CD2' HG13 ' A' ' 103' ' ' ILE . 2.4 tt -122.86 130.91 53.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.34 104.62 13.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.4 HG13 ' CD2' ' A' ' 101' ' ' LEU . 40.7 mt -99.58 133.05 43.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.1 113.44 23.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 2.9 p90 -126.91 153.3 45.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 3.7 ttp180 -121.56 114.41 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -57.92 119.09 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.1 mt -73.38 101.95 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.87 107.26 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.68 166.57 12.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -40.95 159.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.95 174.07 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.544 0.211 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.1 tttt -113.07 165.1 12.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 66.1 t -121.67 138.45 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -126.55 114.36 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -86.15 103.06 14.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.8 mt -105.18 118.02 35.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -81.3 117.09 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.437 HD23 ' CD1' ' A' ' 43' ' ' PHE . 2.7 mp -118.95 176.73 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -98.05 148.22 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -28.57 42.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.25 -51.83 48.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.3 m-30 -75.38 -43.92 47.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.42 HD12 ' CD1' ' A' ' 47' ' ' ILE . 8.4 tp -53.21 -42.64 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.69 -49.05 10.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -45.29 81.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG11 ' CD2' ' A' ' 43' ' ' PHE . 46.2 t -60.24 -44.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -59.44 -40.93 88.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 p -64.72 -29.35 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.19 -21.08 31.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -50.9 -47.86 60.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' CB ' HG21 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -66.54 110.8 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -127.14 -44.8 1.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 26.5 mt -106.65 125.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 25' ' ' VAL . 6.4 tp10 -109.35 114.8 28.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.421 ' N ' ' OE1' ' A' ' 24' ' ' GLU . 97.0 t -108.11 101.63 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.515 ' O ' ' CG1' ' A' ' 27' ' ' VAL . 1.6 tpt180 -140.12 68.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.282 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.515 ' CG1' ' O ' ' A' ' 26' ' ' ARG . 6.2 p 50.77 178.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -126.73 58.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -84.61 169.26 17.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.05 84.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 -55.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -136.98 15.6 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -82.18 -31.9 30.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.404 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 1.1 t70 -72.76 -26.85 61.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 5.5 tt -45.98 154.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -158.72 179.76 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -59.77 141.42 55.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.57 -18.29 38.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.06 177.1 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 16.1 ttpt -130.09 145.48 51.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.448 ' O ' ' N ' ' A' ' 49' ' ' ALA . 58.6 mt -127.7 133.2 68.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.2 mm -114.45 123.91 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.477 ' CD2' HG11 ' A' ' 16' ' ' VAL . 22.3 m-85 -97.64 127.69 43.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 59.61 16.92 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER 48.71 60.45 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.9 tp -160.03 -51.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.42 ' CD1' HD12 ' A' ' 13' ' ' LEU . 6.3 mt -102.3 111.37 64.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.62 42.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.06 146.33 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -108.99 143.19 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.2 t -78.0 113.41 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.432 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.5 t -79.42 -49.03 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -170.99 145.24 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' CG2' HG12 ' A' ' 103' ' ' ILE . 7.1 p -115.75 139.85 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -140.09 137.05 34.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -125.74 141.41 52.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.467 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 41.0 m-85 -132.48 -175.53 3.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -112.33 -45.31 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 40.6 m -92.46 126.56 37.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 52.0 p90 -65.55 -38.95 91.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -61.51 -45.23 95.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -36.11 73.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.46 ' CG2' HG11 ' A' ' 100' ' ' VAL . 49.7 t -58.52 -38.23 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -71.65 -21.6 61.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 65' ' ' ARG . 1.7 mmp_? -80.54 -44.92 18.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.75 -60.75 2.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -77.18 148.94 78.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.5 Cg_endo -74.94 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.414 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 4.6 mt -112.23 -36.82 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.22 -45.44 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -70.82 -55.9 7.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.459 ' CD1' ' O ' ' A' ' 68' ' ' PRO . 60.5 mt -48.55 -55.76 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -122.27 128.2 25.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.14 9.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -15.16 35.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 7.4 mtmt 53.66 64.33 6.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 173.36 14.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.8 m -94.41 154.3 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -46.8 -41.11 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -44.13 47.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -52.72 64.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.01 -39.84 28.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -41.2 97.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -74.14 -47.17 37.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -49.41 -46.71 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.86 -41.31 95.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -68.99 -62.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.591 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.31 108.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.2 tpt -174.03 -52.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -108.73 154.92 41.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 66.59 6.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.565 1.824 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 mttm 67.13 -77.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 2.3 t90 76.56 -62.85 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 107.995 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.93 145.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.36 123.79 22.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -175.98 -176.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.77 136.26 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -56.64 165.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -66.24 148.65 50.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.467 ' CG1' ' HB2' ' A' ' 57' ' ' TYR . 66.1 t -118.18 102.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD1' HG13 ' A' ' 103' ' ' ILE . 0.6 OUTLIER -159.07 143.88 15.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -148.19 106.47 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.473 HG13 ' CD1' ' A' ' 101' ' ' LEU . 39.3 mt -104.28 131.35 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -99.83 117.46 34.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.2 p90 -129.61 152.51 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 5.8 mtp180 -125.94 122.82 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.44 121.48 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.76 97.35 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 110' ' ' ARG . . . 162.59 -100.38 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 109' ' ' GLY . 0.0 OUTLIER -38.93 149.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 112' ' ' LYS . 0.1 OUTLIER 57.37 162.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' N ' ' CG ' ' A' ' 111' ' ' ASP . 11.5 ttpt 56.3 166.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.232 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.48 0.181 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -86.57 166.58 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.474 HG13 ' CG1' ' A' ' 42' ' ' ILE . 65.0 t -120.02 133.61 66.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.446 ' CD1' HD11 ' A' ' 35' ' ' ILE . 67.1 m-85 -125.1 121.19 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -93.84 92.35 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.61 119.98 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.281 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.23 116.14 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 9.7 mp -127.37 169.3 13.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.36 162.35 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -31.35 71.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.56 -50.12 72.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.4 m-85 -79.27 -45.45 19.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -53.28 -43.88 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -45.72 -41.48 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.06 -44.1 97.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 88.8 t -60.92 -38.48 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.178 . . . . 0.0 109.295 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -61.86 -47.59 84.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.0 p -59.01 -28.12 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CD ' ' A' ' 22' ' ' ARG . . . 102.97 -13.73 56.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -54.34 -51.11 65.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 tptp -57.14 107.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -123.6 -42.29 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mt -113.55 113.49 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -106.12 111.21 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.6 t -106.86 101.25 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.11 58.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.4 t 61.33 159.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' ' CD2' ' A' ' 101' ' ' LEU . . . -96.97 56.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.48 157.14 0.38 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.16 -3.25 12.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -118.3 -49.31 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -26.49 4.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.11 -29.43 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.458 HG22 ' CD1' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -41.4 152.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.87 159.53 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -58.58 133.25 55.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.45 -10.09 53.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -78.03 -177.78 5.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.26 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 42' ' ' ILE . 12.3 ttpt -135.63 135.04 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.562 HG21 ' CE1' ' A' ' 43' ' ' PHE . 42.6 mt -116.8 134.14 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 42' ' ' ILE . 1.0 OUTLIER -114.8 106.43 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CE1' HG21 ' A' ' 41' ' ' ILE . 28.7 m-85 -79.39 123.86 27.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.8 m120 61.1 14.71 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 t70 52.39 64.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 tp -167.1 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.0 mt -106.34 110.61 64.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 153.75 42.08 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.53 151.71 33.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -112.77 145.11 41.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.6 t -78.04 125.32 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 7.0 t -91.54 -47.35 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -168.22 146.3 4.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.79 138.23 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -137.01 153.18 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -125.19 140.29 52.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.473 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . 50.1 m-85 -138.26 -170.46 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -120.16 177.15 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.2 p 40.72 -138.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.499 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 45.7 p90 -143.07 -45.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.499 ' N ' ' CG ' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -53.28 -38.86 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -59.93 -42.19 93.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.48 ' CG2' HG22 ' A' ' 100' ' ' VAL . 4.8 t -61.0 -31.97 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.8 mp -74.35 -21.91 59.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.468 ' CG ' ' HD3' ' A' ' 61' ' ' ARG . 5.5 mmm180 -86.79 -42.33 13.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -63.26 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.53 153.82 46.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 175.13 11.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.41 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 34.0 mt -113.43 -36.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -53.9 -41.96 68.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -72.36 -56.74 4.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 55.7 mt -46.29 -49.58 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -134.45 128.33 19.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.71 13.52 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -17.39 24.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 52.48 68.17 3.33 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.5 Cg_endo -74.96 178.99 6.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.537 1.809 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.4 m -108.16 155.53 20.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -48.08 -39.01 18.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -40.81 63.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -42.08 87.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.22 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.61 -45.77 74.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -72.44 -50.62 24.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -48.62 11.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -77.34 56.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -178.44 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.56 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.52 87.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.1 -177.13 5.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 9.9 p90 -130.72 71.82 82.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -54.92 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -169.53 70.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.452 ' CB ' ' O ' ' A' ' 92' ' ' LYS . 1.2 t-105 83.2 -66.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.021 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -164.24 150.72 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.37 167.91 15.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.82 159.48 19.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.8 155.3 29.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.3 t80 173.69 154.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 114.18 132.78 5.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.168 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.48 HG22 ' CG2' ' A' ' 63' ' ' VAL . 0.2 OUTLIER -161.4 102.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.411 ' CD2' ' HB1' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -158.76 119.48 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.402 ' N ' HD12 ' A' ' 101' ' ' LEU . . . -105.89 105.1 14.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' CD1' HG22 ' A' ' 35' ' ' ILE . 34.5 mt -97.33 131.83 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -110.87 117.37 33.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.523 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 41.9 p90 -130.09 156.45 44.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -123.13 110.28 15.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.55 128.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.3 mt -85.34 107.33 17.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 135.42 -96.97 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.92 167.53 2.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -161.34 158.95 27.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -144.65 -178.35 5.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.53 0.205 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -103.51 158.56 16.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.2 t -115.34 137.51 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.428 ' CD2' HD13 ' A' ' 35' ' ' ILE . 33.6 m-85 -127.27 109.32 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.4 mtm180 -89.26 100.14 12.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 mt -97.68 123.91 41.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.95 116.5 20.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.3 mp -122.81 178.88 4.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.02 153.4 20.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -40.45 62.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.81 -52.01 66.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.528 ' N ' ' CD1' ' A' ' 12' ' ' TYR . 1.4 m-30 -71.97 -48.03 47.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 16.3 tp -53.35 -42.92 67.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -44.87 -48.66 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -42.64 90.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.495 HG11 ' CD2' ' A' ' 43' ' ' PHE . 91.3 t -63.81 -47.67 89.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -42.09 86.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.9 p -59.34 -26.58 65.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.943 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.85 -20.87 46.07 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -52.9 -44.21 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.44 ' CB ' HG21 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -71.85 106.36 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.42 -40.57 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.4 mt -107.52 127.33 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -109.56 111.17 22.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.1 t -125.0 131.92 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.68 -68.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 m -150.15 179.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -127.47 27.43 5.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 1.4 t80 -42.09 153.19 0.29 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.04 91.34 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.18 -44.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 35' ' ' ILE . 0.1 OUTLIER -106.59 -35.75 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -31.72 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -58.96 -33.63 70.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -42.25 162.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.38 -178.24 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.65 148.65 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.2 -5.51 78.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -94.39 -179.88 5.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 2' ' ' LYS . 12.8 ttpt -134.14 141.5 47.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 28.5 mt -122.56 132.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.5 mm -112.59 111.19 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.495 ' CD2' HG11 ' A' ' 16' ' ' VAL . 29.1 m-85 -80.6 120.68 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.06 17.92 7.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.6 t0 51.55 60.77 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -159.64 -50.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 mt -101.31 110.73 62.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.1 41.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.11 146.58 26.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -110.17 141.92 42.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.8 t -74.46 123.47 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.6 t -90.32 -47.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -167.12 144.17 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -128.02 134.43 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.96 149.68 38.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -114.82 150.54 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -141.63 -170.91 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -129.4 127.23 40.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m 74.12 124.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -57.31 -30.62 64.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -36.6 78.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -47.26 60.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.48 ' CG2' ' CG2' ' A' ' 100' ' ' VAL . 89.3 t -53.68 -33.34 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.53 -24.97 63.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -87.46 -40.97 13.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.72 -61.25 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -91.47 156.62 43.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 173.08 15.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.423 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 57.7 mt -114.87 -38.7 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -51.5 -30.01 18.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -82.69 -51.4 7.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 84.4 mt -53.66 -61.68 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -118.99 128.91 25.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -20.78 16.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -15.45 46.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 9.6 mtmm 52.62 64.47 7.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.423 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.07 174.44 12.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -104.65 152.39 22.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -47.14 -41.19 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -40.52 60.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -63.75 -47.55 80.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.84 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -52.39 64.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -54.92 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -41.05 -47.01 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -84.56 50.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -173.14 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -73.24 79.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.0 mtt -140.77 164.93 28.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 58.59 156.44 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.26 13.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.444 1.76 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -77.45 116.53 18.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -73.33 72.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -176.69 81.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.1 136.37 38.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.23 -59.52 3.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 74.06 103.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -176.94 141.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.12 137.48 4.54 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.48 ' CG2' ' CG2' ' A' ' 63' ' ' VAL . 0.2 OUTLIER -154.59 111.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 109.325 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.73 130.13 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -112.13 107.34 16.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mt -102.66 125.04 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -108.32 115.23 29.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.466 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 7.1 p90 -128.84 153.18 47.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.437 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 3.3 mtt180 -123.81 109.59 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.31 127.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -80.15 93.07 5.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 159.58 -145.77 11.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 59.39 153.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.332 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.75 147.48 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 0.1 OUTLIER 59.13 158.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.468 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 15.4 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.514 0.197 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -73.66 162.37 29.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.422 HG11 ' CG1' ' A' ' 42' ' ' ILE . 74.9 t -121.61 123.69 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.487 ' CD1' HD12 ' A' ' 35' ' ' ILE . 10.3 m-85 -110.86 118.17 35.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -94.13 108.85 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 mt -103.37 122.62 45.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -80.82 116.32 20.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.5 mp -124.77 169.56 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -99.39 149.13 23.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.5 -27.48 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.81 -54.52 44.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -82.69 -39.59 21.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.8 tp -53.63 -51.02 64.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -45.13 -41.62 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -38.86 89.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.538 HG12 ' CD2' ' A' ' 43' ' ' PHE . 58.2 t -69.83 -40.18 78.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.88 -38.14 89.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.5 p -64.85 -27.45 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.34 -24.37 22.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -48.33 -56.48 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 0.9 OUTLIER -59.84 114.27 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -129.74 -44.04 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.7 mt -111.47 119.89 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -105.82 120.67 42.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -108.61 135.03 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 27' ' ' VAL . 7.2 ttt180 -177.95 83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.425 HG11 ' N ' ' A' ' 28' ' ' ALA . 2.4 p 44.9 -169.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.425 ' N ' HG11 ' A' ' 27' ' ' VAL . . . -137.71 78.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -90.1 170.1 11.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.31 9.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 18.3 tp60 -105.76 2.25 27.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.3 mt -145.26 -52.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -49.78 -30.45 9.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.9 -33.96 76.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.487 HD12 ' CD1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -47.14 158.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.36 166.73 6.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -56.32 136.94 53.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.54 -22.63 28.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 0.8 OUTLIER -82.14 -171.9 3.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.736 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.47 ' CD ' HD11 ' A' ' 42' ' ' ILE . 10.6 ttmm -141.02 140.26 34.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 49' ' ' ALA . 65.4 mt -117.67 140.49 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.47 HD11 ' CD ' ' A' ' 40' ' ' LYS . 1.2 mm -122.0 122.51 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CD2' HG12 ' A' ' 16' ' ' VAL . 62.1 m-85 -96.29 118.71 33.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 65.77 14.59 9.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 60.0 t0 52.94 58.24 5.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.33 -48.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.9 mt -101.53 110.4 61.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.38 42.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.91 149.32 29.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -109.17 138.25 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 t -73.65 124.59 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 20.2 t -90.0 -49.13 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.06 149.14 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.29 137.9 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 136.97 36.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -118.88 140.84 49.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.4 ' OH ' ' CD ' ' A' ' 66' ' ' GLU . 57.8 m-85 -142.63 -170.85 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 59' ' ' THR . 11.6 pt-20 -115.44 -172.91 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 58' ' ' GLU . 62.3 p 38.16 -157.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 87' ' ' HIS . 28.1 m-85 -117.9 -49.94 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -51.03 -38.88 54.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 28.4 tp60 -50.6 -55.26 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 2.6 t -61.51 -32.39 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.457 HD12 ' CE2' ' A' ' 86' ' ' PHE . 8.5 mp -75.69 -20.82 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' ARG . 7.7 mmm180 -88.26 -41.0 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -75.82 -60.38 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -93.17 148.54 35.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.26 10.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.453 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 31.3 mt -110.32 -28.8 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -60.5 -41.39 94.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -74.52 -56.12 5.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.455 HG22 ' CE1' ' A' ' 73' ' ' PHE . 45.2 mt -50.84 -43.09 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.455 ' CE1' HG22 ' A' ' 72' ' ' ILE . 21.1 m-85 -137.33 121.73 12.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.26 17.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.446 1.761 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.12 -21.22 58.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 9.1 mtmt 56.13 64.51 5.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.0 -175.45 2.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 m -102.95 151.83 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -46.89 -41.28 15.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -43.24 55.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -52.21 65.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.35 32.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.46 ' O ' ' CD2' ' A' ' 87' ' ' HIS . 0.5 OUTLIER -63.7 -51.83 63.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -55.1 -50.07 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -44.05 87.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.457 ' CE2' HD12 ' A' ' 64' ' ' LEU . 1.9 m-85 -67.31 -13.27 61.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.494 ' CE1' ' CE2' ' A' ' 60' ' ' PHE . 30.7 m-70 -117.81 26.76 9.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.644 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -144.79 -67.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.465 ' HG3' ' CE2' ' A' ' 98' ' ' TYR . 1.2 mmt 47.63 -175.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -46.14 146.73 2.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -50.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.53 -159.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.06 79.35 5.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.49 117.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 177.01 121.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.19 -51.34 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -41.22 150.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.465 ' CE2' ' HG3' ' A' ' 89' ' ' MET . 2.4 t80 -129.75 -60.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.91 -154.1 16.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.9 p -165.11 98.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.463 ' CD1' HG13 ' A' ' 103' ' ' ILE . 0.5 OUTLIER -155.33 141.38 18.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -135.52 108.35 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.463 HG13 ' CD1' ' A' ' 101' ' ' LEU . 36.5 mt -101.3 132.01 47.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.5 116.22 31.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 21.2 p90 -130.88 152.91 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.35 116.18 24.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.5 p -61.12 135.75 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mt -99.59 89.8 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 175.91 -84.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.35 159.38 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.07 168.6 17.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -105.98 173.83 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.467 0.175 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -87.01 153.57 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 54.9 t -111.53 136.66 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.566 ' CE1' HD13 ' A' ' 35' ' ' ILE . 23.1 m-85 -125.22 105.25 8.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -81.83 94.05 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -94.63 122.32 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.78 116.96 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.421 HD21 ' CD2' ' A' ' 43' ' ' PHE . 4.0 mp -121.62 169.98 10.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -89.29 157.26 18.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -33.62 71.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.77 -53.07 62.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.56 ' N ' ' CD1' ' A' ' 12' ' ' TYR . 1.1 m-30 -77.73 -46.27 22.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.4 tp -52.95 -43.05 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -45.56 -48.04 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 mtt -58.03 -44.88 87.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.451 HG22 ' CB ' ' A' ' 21' ' ' LYS . 62.1 t -58.53 -38.82 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -41.57 94.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 p -59.12 -37.0 76.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.63 -1.94 34.27 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' CB ' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -65.95 124.52 22.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.13 -46.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.3 mp -98.3 126.83 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' C ' ' CD ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -108.54 111.07 22.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 m -106.51 111.3 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -162.23 167.52 23.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.479 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 78.5 t -45.06 129.48 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . . . -75.58 59.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.479 ' CE2' ' HB ' ' A' ' 27' ' ' VAL . 23.2 m-85 -54.94 161.72 2.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.77 21.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 8.66 37.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.9 mt -135.85 -53.02 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 pptp? -50.36 -31.59 15.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.77 -27.4 64.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 4' ' ' TYR . 0.5 OUTLIER -50.41 153.24 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -164.6 177.4 8.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.22 131.83 48.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.94 -17.52 35.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.31 -179.67 7.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.6 ttpt -138.19 144.41 40.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.482 HG21 ' CE1' ' A' ' 43' ' ' PHE . 63.1 mt -129.02 127.61 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -106.57 114.87 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.482 ' CE1' HG21 ' A' ' 41' ' ' ILE . 15.1 m-85 -86.81 126.54 34.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 m120 60.54 15.96 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 51.27 59.25 4.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.6 tp -161.87 -48.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.5 mt -104.12 110.53 64.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 160.5 39.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.01 147.18 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -110.37 139.4 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 t -75.51 120.41 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.1 t -89.82 -45.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -166.4 159.31 14.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.72 147.35 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -142.65 149.35 38.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HD2' ' CD1' ' A' ' 101' ' ' LEU . 17.6 tttm -136.47 144.79 44.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.534 ' CE1' ' OE1' ' A' ' 62' ' ' GLN . 5.0 m-85 -146.02 -171.34 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -106.67 -60.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 p -93.66 149.41 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -35.97 69.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' CD ' ' C ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -50.9 -41.0 58.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.534 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -65.27 -37.02 85.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.487 ' CG2' HG13 ' A' ' 100' ' ' VAL . 55.7 t -63.48 -28.85 45.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.31 -12.37 59.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -88.12 -45.86 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -55.46 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 41.2 mp0 -84.66 149.08 53.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.12 13.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 46.3 mt -111.88 -34.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.6 -36.76 76.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -73.03 -54.82 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.7 mt -47.29 -51.45 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 17.2 m-85 -135.52 136.43 23.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.99 -23.44 13.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.56 -19.1 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 50.65 66.76 5.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -104.9 155.49 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.03 -39.94 13.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.1 -48.71 22.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -46.63 83.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.24 -33.97 63.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -52.31 22.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -60.98 -53.67 54.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -41.98 -48.79 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.95 54.34 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -176.5 -61.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.61 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -43.68 -66.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.45 157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 38.88 88.23 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.413 1.744 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.86 69.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 64.19 152.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.03 72.93 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -178.17 111.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -122.28 -41.77 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.34 -64.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.61 175.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -102.34 -179.42 27.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.487 HG13 ' CG2' ' A' ' 63' ' ' VAL . 3.1 t -149.04 79.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 28' ' ' ALA . 5.0 tp -126.91 121.49 31.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 55' ' ' LYS . . . -99.61 104.63 16.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.3 mt -102.77 126.86 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -107.7 128.97 55.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -149.65 156.94 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -135.3 123.56 23.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.3 p -57.07 135.33 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mt -85.8 95.73 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.28 -145.01 13.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 61.28 156.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 0.781 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.3 140.33 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -145.53 176.99 9.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.513 0.197 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -85.24 158.11 20.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 55.4 t -117.13 131.92 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.461 ' CE2' HD13 ' A' ' 35' ' ' ILE . 13.8 m-85 -117.52 126.56 52.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -97.12 78.95 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.8 mt -75.21 123.02 24.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.69 116.72 22.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.419 ' N ' HD13 ' A' ' 8' ' ' LEU . 6.7 mp -123.58 159.83 28.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 6.0 mttp -87.8 160.15 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -34.86 69.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.98 -57.93 6.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.559 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.7 m-30 -64.64 -41.13 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.3 tp -58.33 -44.19 88.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -49.09 12.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtt -56.61 -43.6 80.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG13 ' CD2' ' A' ' 43' ' ' PHE . 80.4 t -62.49 -35.73 71.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' CG ' HD11 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -72.43 -29.81 64.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.1 p -70.19 -27.52 64.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.7 -17.48 49.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -45.88 87.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -65.99 108.64 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.11 -44.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.1 mt -108.24 123.87 64.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 14.5 pt-20 -112.75 110.95 21.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.444 HG11 ' CG2' ' A' ' 72' ' ' ILE . 7.3 p -106.19 113.61 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -150.48 82.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.451 ' CG2' ' O ' ' A' ' 26' ' ' ARG . 34.6 m 45.13 -168.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.01 33.01 2.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -56.73 166.26 1.39 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.28 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.445 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 13.3 tp60 -153.49 -64.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.53 17.37 3.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -76.93 -23.47 52.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.82 -25.62 35.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.461 HD13 ' CE2' ' A' ' 4' ' ' TYR . 2.1 tt -41.95 161.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.34 177.23 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 6.7 ttt180 -58.95 140.55 55.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.43 -27.57 15.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.72 -177.7 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.7 ttpt -134.31 142.34 47.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' ALA . 41.7 mt -127.09 128.2 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.3 mm -113.38 116.92 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.559 ' CD2' HG13 ' A' ' 16' ' ' VAL . 31.6 m-85 -84.48 122.54 29.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 63.39 13.68 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.8 t0 55.24 50.2 15.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -149.31 -49.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.467 HD11 ' CG ' ' A' ' 17' ' ' LYS . 4.7 mt -101.53 110.9 63.0 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 152.04 40.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.02 149.13 29.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -107.05 149.21 27.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.81 115.73 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.4 t -76.58 -48.64 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -174.77 142.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.83 134.32 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.517 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -142.49 155.28 45.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -124.93 143.08 51.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CE1' ' HB3' ' A' ' 55' ' ' LYS . 69.2 m-85 -139.34 -171.85 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.07 149.65 43.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 99.6 m 61.49 108.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.381 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -46.69 -27.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -43.31 88.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.426 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -59.43 -48.22 82.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.431 ' CG2' HG21 ' A' ' 100' ' ' VAL . 13.3 t -54.46 -30.28 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.25 -29.9 63.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -83.45 -41.21 18.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.2 -55.37 8.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -95.78 158.95 33.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.38 14.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.0 mt -115.72 -40.16 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -55.17 -28.68 54.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -80.01 -55.74 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.444 ' CG2' HG11 ' A' ' 25' ' ' VAL . 39.2 mt -44.26 -46.41 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -134.42 146.83 61.0 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.84 14.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.559 1.821 . . . . 0.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -68.02 -13.98 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' ASP . 8.3 pttt 38.27 64.54 3.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 76' ' ' LYS . 18.4 Cg_endo -74.95 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -89.42 159.48 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.98 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.05 -38.32 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.02 -43.81 51.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -45.77 90.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 86' ' ' PHE . . . -67.45 -31.67 71.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 83' ' ' LEU . 0.5 OUTLIER -65.3 -50.9 63.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.7 ttpt -71.61 -36.83 70.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -57.0 -42.59 80.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 82' ' ' ALA . 3.3 m-85 -67.0 -39.61 87.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -94.71 34.95 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -118.56 -66.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.19 136.29 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.608 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 37.7 p90 -40.41 100.4 0.22 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -73.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -160.3 -76.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -172.49 91.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 43.27 42.49 3.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -157.96 103.8 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -166.84 146.93 5.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 176.7 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -57.21 -177.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.07 116.93 3.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.431 HG21 ' CG2' ' A' ' 63' ' ' VAL . 7.8 p -172.64 97.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.433 ' CD1' HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -159.05 129.39 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -116.48 112.87 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.433 HG13 ' CD1' ' A' ' 101' ' ' LEU . 24.4 mt -109.05 132.05 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -114.31 119.07 35.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 11.0 p90 -133.63 148.48 51.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.37 114.73 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.1 p -58.43 127.3 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.97 120.06 30.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.45 -96.55 0.28 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -42.23 155.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.269 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.47 143.74 31.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -52.78 175.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.443 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.506 0.194 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' LYS . 6.2 tppt? -73.48 158.27 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.504 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 78.7 t -127.48 125.99 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.625 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 4.0 m-85 -111.9 102.63 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -81.15 104.57 11.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 mt -104.76 121.53 43.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.66 117.89 22.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 mp -123.81 178.91 5.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -97.6 164.36 12.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.35 -37.57 87.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.35 -47.88 80.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -74.92 -43.62 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.03 -47.43 85.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.251 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -44.56 -47.56 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -42.76 96.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.467 HG22 ' CB ' ' A' ' 21' ' ' LYS . 22.9 t -58.37 -45.96 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.464 ' HG3' ' CD1' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -58.06 -41.6 83.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 p -59.08 -31.16 68.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.15 -20.72 30.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.22 -47.89 24.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' CB ' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -65.98 118.48 9.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -135.56 -45.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.92 112.77 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' OE2' ' CE1' ' A' ' 105' ' ' PHE . 1.5 pm0 -108.44 113.86 27.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.7 m -102.43 141.65 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -165.42 -60.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -174.75 150.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.476 ' HB1' ' CD1' ' A' ' 101' ' ' LEU . . . -89.18 53.98 2.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -45.27 158.13 0.32 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.85 21.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -1.63 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 35' ' ' ILE . 23.1 mt -118.27 -54.24 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.83 -36.03 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -51.63 -36.58 46.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.625 ' CD1' ' CD2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -41.22 156.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -167.16 172.14 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -58.85 132.48 54.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 1' ' ' MET . . . 109.82 -37.31 3.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.46 -175.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 2' ' ' LYS . 5.8 ttmt -138.57 145.92 41.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.466 ' CG2' ' CE1' ' A' ' 43' ' ' PHE . 91.8 mt -124.28 126.22 71.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.504 ' CG1' ' CG1' ' A' ' 3' ' ' VAL . 1.6 mm -108.82 118.35 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.542 ' CZ ' ' CE2' ' A' ' 105' ' ' PHE . 7.9 m-85 -94.62 122.2 36.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 m120 60.35 19.14 8.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.6 t0 49.04 67.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 tp -169.06 -49.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.464 ' CD1' ' HG3' ' A' ' 17' ' ' LYS . 6.5 mt -102.35 110.89 63.81 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.53 41.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.16 155.24 38.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -115.17 145.04 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.37 115.18 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.57 -49.49 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.44 149.81 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.0 137.85 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.93 167.09 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.452 ' O ' ' CD1' ' A' ' 57' ' ' TYR . 16.0 tttt -129.97 155.24 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 56.8 m-85 -158.58 -175.15 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -124.53 166.7 15.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.2 p 46.05 -164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -108.51 -44.35 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -51.77 -39.88 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -57.93 -53.11 61.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.474 ' CG2' ' CG1' ' A' ' 100' ' ' VAL . 42.0 t -67.04 -32.79 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.7 mp -74.62 -17.85 60.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -91.35 -41.59 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.2 -53.56 12.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -105.11 157.78 33.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.54 14.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.792 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.457 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 61.7 mt -105.78 -34.32 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.16 -31.11 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -79.29 -45.62 19.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.62 -56.17 17.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -120.01 126.07 27.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.79 14.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.13 -13.8 41.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 3.4 mtmt 51.95 63.89 8.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.457 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -177.78 3.71 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.6 m -105.97 155.18 19.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.9 -40.15 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.93 -48.82 22.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -43.91 83.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -55.23 -38.23 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -43.86 86.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 87' ' ' HIS . 0.3 OUTLIER -67.94 -58.97 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.77 -48.47 4.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 3.3 m-85 -60.27 -38.84 84.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -73.06 -49.63 27.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.43 -21.53 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -26.03 61.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -137.22 93.81 12.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -53.43 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.773 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' HB3' ' CE3' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -55.67 176.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.454 ' HB3' ' CD1' ' A' ' 96' ' ' TYR . 18.8 m-90 61.06 80.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 108.034 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -68.15 128.56 36.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 46.15 71.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 96' ' ' TYR . 0.6 OUTLIER -171.81 144.7 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -171.89 164.75 6.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.44 ' O ' ' CG ' ' A' ' 98' ' ' TYR . 9.1 p90 -172.16 132.37 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.49 -111.38 0.59 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.474 ' CG1' ' CG2' ' A' ' 63' ' ' VAL . 21.7 t 66.26 55.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.764 . . . . 0.0 109.36 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.476 ' CD1' ' HB1' ' A' ' 28' ' ' ALA . 2.8 tp -110.18 122.37 47.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.64 105.22 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.1 mt -94.56 123.7 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -103.13 113.59 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.542 ' CE2' ' CZ ' ' A' ' 43' ' ' PHE . 7.6 p90 -127.6 156.76 41.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -126.46 113.85 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -55.55 135.54 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -97.67 98.08 9.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 164.18 -78.12 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -65.16 163.81 14.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 0.0 110.269 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.46 153.97 20.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.1 177.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ttt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.54 0.209 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.7 tttt -92.73 165.21 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 64.5 t -122.61 130.2 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -119.38 111.99 18.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -88.97 102.41 15.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -102.14 119.51 38.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.39 117.59 22.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.429 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 3.2 mp -122.02 178.09 5.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.84 164.31 12.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.31 -35.16 79.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.8 -49.9 75.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -77.04 -46.92 22.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.1 tp -53.73 -44.19 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -47.05 -33.26 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.479 ' CE ' ' CG ' ' A' ' 74' ' ' PRO . 8.0 mtt -70.65 -47.19 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.491 HG13 ' CD2' ' A' ' 43' ' ' PHE . 46.1 t -60.28 -47.4 92.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -45.4 71.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 p -59.9 -34.78 73.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.59 -19.39 33.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -49.53 -34.91 18.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -78.95 116.78 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -45.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.2 mp -98.21 121.09 48.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -102.07 110.78 22.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.8 104.69 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.494 ' O ' ' CG2' ' A' ' 27' ' ' VAL . 8.6 ttt180 -142.05 69.14 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 26' ' ' ARG . 30.9 m 46.16 -170.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.02 24.98 8.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -41.64 155.26 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.99 82.78 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.8 -55.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.506 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 7.6 mt -98.39 -28.01 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -32.38 17.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -66.48 -31.78 72.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.506 ' CG2' ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -40.16 154.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -155.88 172.39 18.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.72 138.15 56.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.16 -21.82 32.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.095 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -73.48 -179.58 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 109.283 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 2' ' ' LYS . 6.6 tttp -135.01 148.21 49.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.7 mt -129.21 142.45 43.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mm -120.62 106.72 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.513 ' CZ ' ' CZ ' ' A' ' 105' ' ' PHE . 31.7 m-85 -81.15 123.98 28.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 6.2 m120 60.25 15.98 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.6 t0 50.65 62.44 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.8 tp -165.1 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.0 mt -106.95 110.87 63.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.36 42.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.443 1.759 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.19 150.78 31.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -116.83 143.8 45.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.6 t -77.01 118.09 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -84.99 -47.28 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -170.17 146.78 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.3 p -124.14 137.11 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.1 142.42 36.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -114.27 152.69 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 66' ' ' GLU . 45.2 m-85 -158.62 -170.92 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.5 pt-20 -131.85 138.88 48.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 58' ' ' GLU . 2.1 m 78.64 145.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 51.8 p90 -67.22 -39.27 86.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -55.46 -40.71 71.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 25.5 tp60 -57.74 -55.18 38.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 39.6 t -66.64 -32.51 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' CD1' ' CD1' ' A' ' 69' ' ' ILE . 2.3 mm? -67.26 -29.2 68.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -87.85 -39.16 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 57' ' ' TYR . 1.1 tm-20 -63.54 -54.13 40.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -107.04 157.45 35.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.08 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 172.97 15.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.811 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.477 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 5.2 mt -104.8 -26.15 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -30.7 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.95 -59.75 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.52 HG21 ' CE2' ' A' ' 73' ' ' PHE . 82.3 mt -40.9 -47.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.52 ' CE2' HG21 ' A' ' 72' ' ' ILE . 57.9 m-85 -135.23 147.62 63.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.479 ' CG ' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.97 -30.44 7.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 76' ' ' LYS . 2.2 m-20 -61.17 -14.98 28.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 32.85 63.45 1.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 -170.56 0.8 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.508 1.794 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.8 m -99.58 156.94 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.13 -38.45 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.48 -38.35 62.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -46.7 67.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 -35.59 73.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -34.58 78.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -72.54 -45.62 58.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -40.79 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -84.81 53.15 2.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.49 -49.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -53.06 -50.18 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -52.6 167.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.599 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 34.4 p90 -37.07 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 89' ' ' MET . 18.3 Cg_endo -74.97 -58.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.88 166.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -47.58 131.96 14.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 108.019 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.96 -173.04 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.59 118.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 56.02 178.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 160.03 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -167.1 128.23 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.56 92.69 0.38 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 59' ' ' THR . 92.1 t -127.42 86.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.416 HD22 ' N ' ' A' ' 102' ' ' ALA . 0.8 OUTLIER -134.51 134.0 40.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.416 ' N ' HD22 ' A' ' 101' ' ' LEU . . . -114.49 105.9 13.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.4 mt -95.66 131.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -117.81 114.64 23.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 2.7 p90 -129.76 157.48 42.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.43 113.3 19.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.0 p -59.89 114.39 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.38 112.11 6.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 157.07 -80.91 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -56.06 162.77 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.324 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -76.62 135.84 39.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.2 172.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ttt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.495 0.188 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -93.34 160.18 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.428 HG13 ' CG1' ' A' ' 42' ' ' ILE . 76.0 t -120.17 134.83 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.455 ' CE1' HD13 ' A' ' 35' ' ' ILE . 9.6 m-85 -123.32 109.7 14.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -83.48 99.57 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.336 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 mt -99.79 119.27 37.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -82.73 118.94 23.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -121.6 166.53 14.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.96 156.28 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -27.5 68.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.94 -50.81 53.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -77.61 -43.58 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 47' ' ' ILE . 12.5 tp -53.23 -45.54 68.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -45.7 59.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -35.61 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.9 t -73.29 -45.99 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -33.96 60.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 p -75.28 -32.8 61.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 110.042 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.9 19.74 12.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -76.34 -34.56 58.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.05 148.41 34.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.55 -44.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 36.5 mt -111.62 123.04 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -105.39 124.87 50.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -132.52 118.89 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.48 57.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.561 HG12 ' CD1' ' A' ' 29' ' ' TYR . 8.4 t 67.05 160.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.464 ' CB ' ' HE3' ' A' ' 56' ' ' LYS . . . -104.28 32.97 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.561 ' CD1' HG12 ' A' ' 27' ' ' VAL . 22.4 m-85 -48.26 154.57 1.06 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.01 2.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -168.92 -46.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 7.2 mt -110.97 -29.08 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HE3' ' CA ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -48.63 -35.74 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CA ' ' HE3' ' A' ' 33' ' ' LYS . 6.7 t0 -57.17 -35.55 69.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.455 HD13 ' CE1' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -40.79 155.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -162.82 169.25 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -59.34 135.12 57.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.71 -18.47 34.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.42 -176.09 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 2' ' ' LYS . 4.2 tttt -137.18 141.74 42.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.438 ' CG1' HD12 ' A' ' 35' ' ' ILE . 9.7 mt -126.99 131.58 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.428 ' CG1' HG13 ' A' ' 3' ' ' VAL . 2.8 mm -112.41 122.77 67.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -93.73 129.09 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.9 m120 57.45 18.34 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t0 48.26 64.34 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -167.66 -43.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.421 ' CD1' HD13 ' A' ' 13' ' ' LEU . 2.6 mp -104.92 110.74 64.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 154.29 42.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.13 146.5 26.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -109.73 144.48 38.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.431 HG23 ' CD1' ' A' ' 41' ' ' ILE . 46.3 t -77.56 120.47 28.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.429 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 16.0 t -86.94 -50.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -172.46 143.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.8 t -108.73 142.93 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.96 134.18 36.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HE3' ' CB ' ' A' ' 28' ' ' ALA . 22.2 tttt -129.0 141.9 51.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.489 ' CE1' ' NE2' ' A' ' 62' ' ' GLN . 47.9 m-85 -133.4 175.59 9.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 59' ' ' THR . 8.8 pt-20 -84.47 -46.12 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.473 ' CG2' ' HG3' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -122.89 147.78 46.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.386 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.466 ' N ' ' CG2' ' A' ' 100' ' ' VAL . 6.9 p90 -65.02 -32.88 74.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.473 ' HG3' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -50.9 -36.86 40.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' NE2' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -75.07 -39.87 60.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.444 HG21 ' CG1' ' A' ' 100' ' ' VAL . 74.1 t -51.66 -32.21 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mp -81.89 -25.51 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' GLN . 3.6 mmt85 -71.92 -47.67 50.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' CG ' ' OH ' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -82.2 -57.62 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -84.08 146.94 49.66 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.99 173.64 14.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.556 1.819 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.425 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 33.2 mt -105.43 -36.07 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.41 -43.2 79.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -65.8 -49.8 66.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.3 mt -57.48 -52.38 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -129.74 131.06 23.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.71 13.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.74 -18.07 19.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 55.6 mttt 50.92 64.36 8.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -172.79 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.2 m -106.26 152.01 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.76 -40.19 13.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -38.98 61.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -66.67 -52.22 47.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.84 -36.03 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -45.52 94.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.49 -48.28 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -49.07 40.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -77.85 61.61 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.5 t60 170.87 -49.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.592 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.73 85.3 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.7 ptm 179.77 158.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 50.55 99.21 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -32.57 5.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.57 69.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -179.1 -67.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.88 105.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.64 150.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -105.49 59.72 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 167.76 114.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.344 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 -50.34 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.29 163.78 12.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' A' ' 57' ' ' TYR . 46.9 t -124.62 112.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -159.44 143.58 15.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.17 111.01 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.475 HG13 ' CD1' ' A' ' 101' ' ' LEU . 54.0 mt -109.37 133.2 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -110.32 114.69 28.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 9.8 p90 -124.24 154.64 39.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.429 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -122.65 111.42 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.248 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.78 125.53 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.99 117.53 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 138.56 -90.86 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -50.43 155.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.35 148.97 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -54.25 178.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.509 0.195 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.5 155.82 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.47 HG12 ' CG1' ' A' ' 42' ' ' ILE . 74.0 t -120.19 124.25 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.517 ' CE2' HD13 ' A' ' 35' ' ' ILE . 4.3 m-85 -110.98 108.9 18.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -83.24 99.16 9.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -103.5 121.73 43.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -83.49 118.72 23.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 mp -123.28 171.47 9.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.94 156.99 16.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -32.32 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.69 -53.07 60.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -75.03 -44.82 45.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.5 tp -54.67 -42.16 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.17 -41.46 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . 0.402 ' SD ' ' CG ' ' A' ' 74' ' ' PRO . 4.0 mtt -60.68 -49.34 77.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.0 t -57.48 -51.39 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -51.43 -40.08 58.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.5 p -69.95 -28.15 65.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.21 -26.71 22.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -42.42 -36.19 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -75.29 110.2 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -45.67 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.1 mt -101.19 122.36 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -101.54 114.51 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -104.87 125.24 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -167.57 75.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 28' ' ' ALA . 1.4 m 36.96 -153.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.552 ' N ' ' CG2' ' A' ' 27' ' ' VAL . . . -143.2 53.02 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.495 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -80.41 173.83 7.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.495 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.03 164.04 34.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.11 -0.97 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 35' ' ' ILE . 1.0 OUTLIER -140.88 -56.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -29.62 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.27 -32.13 73.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.517 HD13 ' CE2' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -40.25 153.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -161.37 -179.19 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -73.18 141.73 47.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.78 -11.89 56.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -95.53 174.56 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -125.0 140.89 52.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.4 ' CG1' HD12 ' A' ' 35' ' ' ILE . 13.0 mt -118.88 124.82 73.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.47 ' CG1' HG12 ' A' ' 3' ' ' VAL . 12.4 mm -104.13 126.82 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -105.9 124.91 50.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m120 59.77 19.66 8.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.41 ' HA ' ' CG2' ' A' ' 42' ' ' ILE . 61.5 t0 44.82 67.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -167.41 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.6 mt -103.78 110.52 64.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.83 41.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.16 150.16 30.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -112.95 139.94 48.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 t -73.86 121.11 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.473 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 14.5 t -86.93 -47.8 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -174.47 147.37 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.409 ' CG1' HD22 ' A' ' 101' ' ' LEU . 90.9 t -125.92 132.54 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 140.32 41.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -109.24 149.31 29.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.457 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 87.8 m-85 -143.84 176.45 9.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -104.92 136.08 45.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.6 m 63.5 130.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 35.3 p90 -60.56 -42.1 95.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.644 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -53.39 -46.73 69.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -55.95 -43.78 77.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 57' ' ' TYR . 4.3 t -56.81 -29.11 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.74 -24.44 49.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -80.68 -42.73 21.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.49 -58.38 3.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -84.65 153.84 61.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.44 14.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.434 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 33.7 mt -110.1 -34.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -51.56 -48.59 63.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -64.48 -56.56 13.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.5 mt -48.59 -52.63 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -132.3 125.08 19.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.402 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.96 -20.82 16.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.34 -23.5 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 6.1 mtmt 62.32 64.21 1.8 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 m -100.6 153.22 19.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -46.78 -41.44 15.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.04 -46.19 36.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -57.24 -50.67 72.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -56.45 -37.16 69.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -41.19 95.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -71.52 -53.81 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.84 -47.65 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.561 ' HB3' ' CD2' ' A' ' 87' ' ' HIS . 4.1 m-85 -55.74 134.74 51.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.561 ' CD2' ' HB3' ' A' ' 86' ' ' PHE . 1.9 m170 86.85 -46.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.12 163.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 90' ' ' TYR . 38.2 mtm 63.85 -178.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.414 ' O ' ' O ' ' A' ' 89' ' ' MET . 76.2 m-85 56.13 160.27 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 76.51 3.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.17 119.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 24.2 p90 -154.73 149.01 26.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.045 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 77.82 130.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.21 146.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -91.71 156.81 17.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.98 -172.72 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -99.6 143.98 29.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.44 ' CA ' ' HA ' ' A' ' 27' ' ' VAL . . . 158.67 126.01 0.84 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.457 ' CG1' ' O ' ' A' ' 57' ' ' TYR . 7.0 p -176.75 65.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.409 HD22 ' CG1' ' A' ' 54' ' ' VAL . 1.2 tt -125.2 133.37 52.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -112.72 106.36 14.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 38.0 mt -97.7 132.73 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.71 114.09 25.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -126.62 153.25 45.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.473 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 1.1 ttt180 -123.61 111.69 16.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.92 126.85 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.6 132.98 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.34 -84.27 0.28 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.2 165.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.67 138.38 41.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -63.71 175.25 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.528 0.204 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -77.16 157.48 30.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.66 141.79 28.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.464 ' CD1' HD13 ' A' ' 35' ' ' ILE . 57.4 m-85 -133.7 119.61 19.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 mtm-85 -91.92 109.49 20.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 mt -106.76 121.57 44.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.408 ' C ' ' CD1' ' A' ' 8' ' ' LEU . 5.9 m-85 -81.87 117.49 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 8' ' ' LEU . 7.3 mp -126.97 162.45 25.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -93.02 151.47 19.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -29.19 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.63 -53.14 56.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.5 m-85 -77.92 -41.22 37.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 tp -57.13 -42.13 80.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -46.52 -49.17 18.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -45.42 82.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -58.58 -40.93 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -51.04 67.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -59.74 -21.57 60.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 21' ' ' LYS . . . 96.77 -22.54 39.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -42.79 -29.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -86.54 117.17 25.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.29 -45.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -103.84 121.81 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -101.05 111.1 23.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.442 HG23 ' CD1' ' A' ' 72' ' ' ILE . 57.8 t -101.85 136.05 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.72 146.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.1 t -40.07 128.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.29 61.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -77.82 159.56 76.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.96 80.57 2.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -161.27 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -137.72 13.29 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -85.89 -24.27 26.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -79.16 -24.81 43.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.464 HD13 ' CD1' ' A' ' 4' ' ' TYR . 5.4 tt -43.03 159.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -158.68 173.94 15.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 9.2 ttt180 -57.8 140.59 51.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.02 -21.17 32.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.64 178.6 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -134.17 148.97 51.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 49' ' ' ALA . 52.5 mt -131.45 129.79 62.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.3 mm -106.76 113.68 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -88.44 125.22 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.2 m120 63.25 16.13 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.68 64.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.16 -42.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.2 mt -110.2 110.61 58.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.45 41.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.13 145.33 25.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -108.32 138.37 44.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.7 t -75.79 121.98 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.8 t -86.21 -48.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.08 143.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -128.7 132.25 67.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -143.23 151.67 40.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -107.11 151.22 25.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.57 ' CD2' HG22 ' A' ' 63' ' ' VAL . 53.8 m-85 -130.01 -170.66 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -88.31 -109.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 p -85.09 150.0 25.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.512 ' CZ ' ' O ' ' A' ' 99' ' ' GLY . 94.6 m-85 -43.63 -41.21 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -41.02 60.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.88 -42.8 89.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.57 HG22 ' CD2' ' A' ' 57' ' ' TYR . 40.9 t -60.98 -43.56 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.439 ' HG ' ' CD1' ' A' ' 69' ' ' ILE . 8.5 mp -64.1 -22.81 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -83.54 -44.29 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.476 ' HG3' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -67.59 -57.17 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.284 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' OE2' ' CG1' ' A' ' 63' ' ' VAL . 5.5 pt-20 -106.16 152.86 40.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.02 15.23 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.458 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 9.1 mt -106.25 -32.53 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.502 ' OD2' ' CE ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -49.78 -32.85 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -77.32 -50.82 12.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 73' ' ' PHE . 62.5 mt -57.51 -40.14 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 72' ' ' ILE . 29.6 m-85 -145.94 127.9 7.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.82 17.41 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -23.9 57.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.502 ' CE ' ' OD2' ' A' ' 70' ' ' ASP . 6.6 mttp 56.51 69.38 1.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.03 -169.85 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 m -110.7 150.76 28.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -41.83 16.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -37.51 63.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.66 -48.54 76.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.39 -34.06 60.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -46.51 63.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.23 -56.57 12.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.52 -41.9 10.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -90.51 45.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -165.23 -43.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.76 -52.83 58.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.7 mtm -44.33 -41.05 5.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 12.7 p90 -142.08 96.98 6.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 95.56 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.11 90.82 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.81 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 108.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -55.5 154.55 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 51.38 102.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 69.12 -177.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -138.7 -174.24 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.512 ' O ' ' CZ ' ' A' ' 60' ' ' PHE . . . -171.55 109.06 0.3 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 100' ' ' VAL . 1.9 p -175.51 108.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.59 129.49 5.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -110.22 104.78 13.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.463 ' CD1' HD11 ' A' ' 32' ' ' LEU . 8.8 mt -99.85 119.29 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -107.96 109.46 20.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 3.1 p90 -125.63 155.8 40.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -125.75 128.36 47.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.6 122.15 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.6 mt -74.14 112.57 10.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 139.07 -92.58 0.2 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 111' ' ' ASP . 22.4 ttt85 -40.61 152.32 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -77.26 151.14 35.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 175.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.495 0.188 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -105.72 158.96 16.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.572 HG13 ' CG1' ' A' ' 42' ' ' ILE . 77.5 t -119.02 128.41 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 35' ' ' ILE . 6.1 m-85 -118.06 102.4 9.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -78.33 104.18 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.83 122.25 46.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -85.31 116.94 23.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.461 HD22 ' HD1' ' A' ' 43' ' ' PHE . 1.1 mp -119.63 174.71 6.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.92 150.19 21.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.81 -32.45 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.07 -54.6 35.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.3 m-30 -72.66 -45.25 59.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.664 HD22 ' ND2' ' A' ' 44' ' ' ASN . 13.1 tp -52.9 -43.0 65.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -46.38 -48.52 18.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -56.98 -41.58 78.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.697 HG22 ' HB3' ' A' ' 21' ' ' LYS . 92.2 t -64.15 -37.28 79.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG2' HD13 ' A' ' 47' ' ' ILE . 3.2 mmtt -64.83 -40.68 95.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -34.9 74.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.28 -12.8 26.13 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.83 -33.67 50.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.697 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -84.4 109.74 18.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.73 -43.41 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.85 118.48 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -100.94 111.24 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -98.25 129.53 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -173.93 147.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 m -40.56 121.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.39 -84.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER 56.49 160.21 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.95 164.95 32.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 83.77 -9.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.3 mt -138.7 -59.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -48.57 -29.64 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -34.69 72.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -40.34 154.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.27 173.89 15.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -66.78 140.68 57.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.2 -24.7 30.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -72.1 -175.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.741 ' HG2' HD11 ' A' ' 42' ' ' ILE . 12.4 ttpt -137.47 144.48 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.486 ' C ' HD13 ' A' ' 42' ' ' ILE . 94.4 mt -124.7 125.99 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.7 mm -104.12 111.38 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.461 ' HD1' HD22 ' A' ' 8' ' ' LEU . 67.3 m-85 -88.06 126.59 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.664 ' ND2' HD22 ' A' ' 13' ' ' LEU . 4.8 m120 60.6 15.77 5.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 49.13 62.65 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.96 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.422 HD13 ' HG2' ' A' ' 17' ' ' LYS . 4.4 mt -109.07 110.7 60.69 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.03 41.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.08 146.48 26.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -109.05 137.93 46.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.5 t -72.21 116.53 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 106' ' ' ARG . 13.7 t -78.82 -51.18 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -165.11 146.09 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -118.45 129.98 73.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 139.02 34.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HA ' HD22 ' A' ' 101' ' ' LEU . 7.1 tttp -110.99 146.53 36.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HB3' ' CG ' ' A' ' 62' ' ' GLN . 16.3 m-85 -154.55 -170.88 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 6.8 pt-20 -136.06 147.48 47.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.766 ' N ' HG21 ' A' ' 100' ' ' VAL . 3.6 m 69.14 124.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 18.8 p90 -48.83 -35.03 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.521 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -56.52 -35.58 68.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.472 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 6.6 tp-100 -62.0 -55.43 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.676 HG23 ' CG1' ' A' ' 100' ' ' VAL . 9.1 t -61.24 -32.53 53.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.492 HD22 ' HD1' ' A' ' 60' ' ' PHE . 5.7 mp -74.7 -24.96 58.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.33 -45.24 20.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -51.59 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -98.85 147.37 33.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.3 14.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 3.4 mt -101.21 -34.29 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.14 -29.75 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -86.19 -60.03 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 89.9 mt -47.16 -39.93 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.54 141.05 37.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -42.51 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.69 -17.02 19.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 pttt 43.4 65.79 5.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.799 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -95.09 153.09 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -47.1 -40.42 15.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -38.15 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -37.09 81.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.06 86.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -62.75 -45.52 92.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -69.6 -47.76 62.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -48.23 -45.7 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.766 HG21 ' N ' ' A' ' 59' ' ' THR . 90.4 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.643 HD12 HG13 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -121.69 126.16 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.626 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -101.67 104.89 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.643 HG13 HD12 ' A' ' 101' ' ' LEU . 7.0 mt -96.94 118.51 43.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.73 113.11 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 1.9 p90 -126.42 153.08 45.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.628 ' HB2' HG22 ' A' ' 52' ' ' VAL . 1.8 ttp180 -121.25 109.61 15.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.4 p -53.1 135.17 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.72 130.51 38.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.401 ' CE ' ' HE2' ' A' ' 40' ' ' LYS . 15.4 ttt . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.486 0.184 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -71.7 159.91 33.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.574 HG13 HD11 ' A' ' 42' ' ' ILE . 53.8 t -118.63 129.9 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.48 ' CG ' HD12 ' A' ' 35' ' ' ILE . 17.8 m-85 -118.73 113.69 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -89.55 107.03 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.527 ' HG ' HG23 ' A' ' 41' ' ' ILE . 13.4 mt -105.34 125.76 51.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.522 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.5 m-85 -84.0 117.59 23.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 7' ' ' TYR . 1.7 mp -121.68 171.5 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 4.0 mttm -99.17 145.24 27.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -27.65 1.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.44 -48.95 65.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -80.75 -39.39 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.439 HD11 HD12 ' A' ' 47' ' ' ILE . 13.8 tp -58.86 -40.82 85.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.47 -45.29 36.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mtt -60.68 -40.24 91.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.637 HG22 ' HB3' ' A' ' 21' ' ' LYS . 68.7 t -67.22 -41.54 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -59.99 -39.9 87.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.6 p -63.0 -30.15 71.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.35 -13.48 54.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -59.75 -52.27 66.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.637 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -55.8 99.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.48 -47.88 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 25' ' ' VAL . 3.7 mp -96.5 129.39 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -113.95 111.02 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 25' ' ' VAL . 8.8 m -121.37 103.06 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -145.57 59.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 t 62.18 141.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -63.36 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.16 153.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -74.99 165.33 31.55 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 80.98 -5.43 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.691 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -140.45 -59.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -36.97 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -34.92 66.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.691 HG22 ' O ' ' A' ' 32' ' ' LEU . 1.1 tt -41.19 156.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.08 171.09 21.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 144.96 52.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.51 -18.92 49.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.1 m-20 -86.47 177.91 7.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -132.82 144.2 50.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.527 HG23 ' HG ' ' A' ' 6' ' ' LEU . 19.4 mt -124.71 131.8 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.574 HD11 HG13 ' A' ' 3' ' ' VAL . 1.1 mm -106.59 116.73 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.616 ' CD2' HG11 ' A' ' 16' ' ' VAL . 50.7 m-85 -86.61 119.84 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 65.08 13.32 8.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 64.2 t0 54.73 59.69 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.32 -45.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.439 HD12 HD11 ' A' ' 13' ' ' LEU . 6.1 mt -104.29 110.67 64.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.45 42.59 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.12 145.13 25.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -109.78 139.14 45.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 39' ' ' ASP . 11.8 t -72.3 127.23 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.33 -45.53 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.97 151.02 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG23 HG12 ' A' ' 103' ' ' ILE . 11.6 p -116.38 136.21 54.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.732 ' O ' HD13 ' A' ' 101' ' ' LEU . 13.7 mttp -129.47 138.35 51.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HG3' HD22 ' A' ' 101' ' ' LEU . 26.0 tttt -126.59 141.41 51.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.663 ' HB2' HG12 ' A' ' 100' ' ' VAL . 32.1 m-85 -154.28 166.46 33.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' HG21 ' A' ' 100' ' ' VAL . 2.9 mt-10 -97.91 -60.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.739 ' O ' HG11 ' A' ' 100' ' ' VAL . 16.5 m -68.3 159.71 30.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.614 ' CE1' ' CD2' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -92.37 -48.71 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.948 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -52.38 -35.94 52.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -57.13 -47.57 80.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.802 HG21 HG13 ' A' ' 100' ' ' VAL . 13.2 t -56.0 -36.09 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.23 -24.12 51.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -44.15 42.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.1 -54.44 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.64 152.4 44.97 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.96 9.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.764 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 56.3 mt -113.73 -35.48 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -57.78 -41.11 81.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -68.84 -51.19 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.551 HG22 ' CD2' ' A' ' 73' ' ' PHE . 50.7 mt -51.32 -50.24 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG22 ' A' ' 72' ' ' ILE . 39.7 m-85 -141.05 133.71 14.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -19.95 17.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.85 -23.23 63.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.41 65.46 2.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.05 167.9 25.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.4 m -93.99 154.56 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.79 -39.83 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.84 -45.62 42.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -49.4 72.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.83 65.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.2 -51.5 69.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -55.86 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.8 -44.6 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.614 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 3.7 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.802 HG13 HG21 ' A' ' 63' ' ' VAL . 79.6 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -123.87 116.72 23.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.52 ' HA ' HG12 ' A' ' 25' ' ' VAL . . . -97.96 120.94 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.598 HD13 HG21 ' A' ' 35' ' ' ILE . 5.8 mt -118.19 119.85 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -98.71 117.87 34.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.544 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 3.0 p90 -132.06 148.45 52.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -118.43 122.76 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 p -65.06 134.4 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.47 157.1 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ttt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.465 0.174 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -90.99 154.59 19.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.456 HG13 ' CG1' ' A' ' 42' ' ' ILE . 40.4 t -112.77 134.29 55.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.457 ' CD2' HD12 ' A' ' 35' ' ' ILE . 12.9 m-85 -126.84 113.2 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -87.34 106.54 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.44 124.22 49.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.63 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -84.02 117.16 23.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.9 mp -122.34 165.64 15.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -89.01 146.22 25.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.25 -36.51 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.3 -52.94 63.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.551 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.5 m-30 -73.6 -45.68 51.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.693 HD11 ' CD1' ' A' ' 47' ' ' ILE . 10.1 tp -53.29 -42.88 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -44.84 -46.96 11.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.423 ' HE2' ' HG2' ' A' ' 74' ' ' PRO . 2.2 mtt -59.86 -43.31 94.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 21' ' ' LYS . 64.4 t -60.46 -39.93 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.1 -48.86 76.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 p -59.15 -35.45 73.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.96 -11.69 27.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -58.49 -32.06 68.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.723 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -84.33 111.42 19.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -129.47 -45.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.426 HD13 ' HD2' ' A' ' 68' ' ' PRO . 2.7 mp -113.55 120.45 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 5.3 pt-20 -114.63 117.22 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.834 HG12 ' HA ' ' A' ' 102' ' ' ALA . 2.2 m -121.45 141.38 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -164.56 -70.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.25 174.09 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -126.72 28.62 5.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.8 160.59 0.39 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 80.31 2.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.15 -55.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.618 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -105.79 -21.97 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -56.42 -25.53 50.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -28.57 61.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -43.7 161.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -166.7 171.52 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -62.31 141.58 58.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.39 -25.18 24.04 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -82.2 179.84 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 5.2 ttpt -134.08 148.65 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.442 ' O ' HD13 ' A' ' 42' ' ' ILE . 31.9 mt -122.21 148.98 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 45' ' ' ASP . 3.1 mm -124.02 115.3 44.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CD2' HG11 ' A' ' 16' ' ' VAL . 60.7 m-85 -91.37 124.71 35.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.3 m120 60.58 15.58 5.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.473 ' HA ' HG22 ' A' ' 42' ' ' ILE . 0.4 OUTLIER 49.63 58.95 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tp -161.01 -44.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.693 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.8 mt -104.81 110.72 64.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.99 41.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.57 147.28 27.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HB2' HD21 ' A' ' 108' ' ' LEU . 12.5 tt0 -110.87 143.99 40.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.6 t -75.17 129.41 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.527 HG21 ' HD2' ' A' ' 106' ' ' ARG . 6.4 t -99.81 -47.08 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 54' ' ' VAL . 3.2 tm-20 -160.08 164.78 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.138 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 49.6 t -150.54 132.35 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.52 156.71 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -122.34 140.96 52.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.771 ' HB2' HG12 ' A' ' 100' ' ' VAL . 63.7 m-85 -143.29 160.32 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -106.48 -16.32 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -117.05 124.92 50.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -57.23 -49.94 74.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -39.74 53.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -56.98 -38.05 72.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.411 ' CG2' HG13 ' A' ' 100' ' ' VAL . 89.1 t -63.64 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.652 HD23 HD11 ' A' ' 69' ' ' ILE . 11.0 mp -80.94 -24.63 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -74.66 -47.45 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.14 -55.69 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -91.54 153.18 44.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.652 HD11 HD23 ' A' ' 64' ' ' LEU . 27.6 mt -108.91 -32.87 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.53 -25.75 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -86.85 -52.81 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.4 mt -55.14 -42.44 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -140.78 122.47 9.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HG2' ' HE2' ' A' ' 15' ' ' MET . 18.3 Cg_endo -75.0 -20.65 16.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.08 -19.83 61.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 8.0 mtmt 62.9 64.4 1.54 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.02 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.8 m -100.86 153.66 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.9 -40.58 14.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -44.22 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -60.87 -49.26 78.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.63 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -49.38 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -52.34 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -44.09 -45.84 8.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.771 HG12 ' HB2' ' A' ' 57' ' ' TYR . 67.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.601 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -113.56 117.39 31.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.834 ' HA ' HG12 ' A' ' 25' ' ' VAL . . . -99.37 105.68 17.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.601 HG13 HD12 ' A' ' 101' ' ' LEU . 17.7 mt -102.05 123.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -102.64 128.86 49.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.3 p90 -143.15 152.03 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.527 ' HD2' HG21 ' A' ' 52' ' ' VAL . 4.1 mtt85 -123.51 126.67 47.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.65 126.48 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' A' ' 50' ' ' GLU . 1.9 mt -81.04 98.32 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.544 0.212 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' LYS . 2.1 tttp -80.03 162.65 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.533 HG13 ' CG1' ' A' ' 42' ' ' ILE . 72.9 t -124.52 122.68 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.678 ' CG ' HD12 ' A' ' 35' ' ' ILE . 35.9 m-85 -110.53 122.24 47.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 mtm-85 -94.4 101.33 13.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.487 ' HG ' HG23 ' A' ' 41' ' ' ILE . 7.6 mt -96.25 120.19 36.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.748 ' C ' HD12 ' A' ' 8' ' ' LEU . 9.4 m-85 -80.52 116.85 20.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.748 HD12 ' C ' ' A' ' 7' ' ' TYR . 8.6 mp -126.72 167.26 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.44 159.89 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.68 -36.05 71.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.59 -53.92 52.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.6 m-85 -73.87 -44.41 55.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.621 HD11 HD12 ' A' ' 47' ' ' ILE . 14.7 tp -52.8 -43.58 66.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.84 -47.89 11.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.7 mtt -58.32 -42.49 86.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.31 -37.67 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -70.17 -40.43 74.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.6 p -59.17 -24.41 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.056 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.4 -13.5 65.54 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -59.41 -47.57 84.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -63.78 126.9 29.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -45.88 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.536 HD13 ' HD2' ' A' ' 68' ' ' PRO . 5.9 mt -114.13 124.85 71.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -119.81 112.26 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.546 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 26.2 m -84.07 111.47 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.59 -170.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.8 t -104.32 22.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 29' ' ' TYR . . . 54.45 -107.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER 52.44 172.2 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 87.73 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.29 -64.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.526 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -139.88 15.98 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -70.27 -26.48 63.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -74.04 -25.53 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.678 HD12 ' CG ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -41.59 152.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.62 178.94 9.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -68.47 142.99 55.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.42 -15.61 55.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.117 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.19 -162.99 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.704 ' HG2' HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -148.83 145.56 27.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.531 ' C ' HD13 ' A' ' 42' ' ' ILE . 76.5 mt -125.32 127.9 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.704 HD11 ' HG2' ' A' ' 40' ' ' LYS . 3.4 mm -106.93 106.81 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -79.48 121.94 25.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.59 13.9 6.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.458 ' HA ' HG22 ' A' ' 42' ' ' ILE . 37.6 t0 55.28 52.3 11.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.56 -46.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 13' ' ' LEU . 7.2 mt -103.14 110.82 64.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.22 42.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.18 146.48 26.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HB3' HD21 ' A' ' 108' ' ' LEU . 8.1 tt0 -107.02 139.65 41.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.27 120.65 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.12 -46.54 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -172.53 145.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.599 HG22 HG12 ' A' ' 103' ' ' ILE . 41.4 t -125.57 142.18 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.648 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -140.88 142.57 34.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -114.55 157.4 23.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.648 ' HB2' HG12 ' A' ' 100' ' ' VAL . 42.9 m-85 -156.49 172.43 18.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.04 -53.35 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.3 m -81.03 136.24 35.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 37.7 p90 -74.19 -35.29 63.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -62.43 -40.04 95.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -41.36 80.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.845 HG21 HG13 ' A' ' 100' ' ' VAL . 76.5 t -59.11 -29.2 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 69' ' ' ILE . 6.9 mp -77.38 -24.28 50.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.77 -45.44 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.35 -59.36 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' OE2' HG21 ' A' ' 23' ' ' ILE . 6.1 mm-40 -89.53 150.91 45.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.98 176.59 9.71 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.6 HD11 HD23 ' A' ' 64' ' ' LEU . 64.5 mt -111.94 -34.88 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.18 -41.0 78.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -69.86 -52.13 27.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.02 -50.54 69.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.1 126.37 24.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.33 15.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.49 -16.16 62.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt 52.75 66.88 4.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 -179.92 5.47 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 m -100.49 154.02 18.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.86 -40.52 14.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -43.77 53.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -62.28 -41.16 98.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.45 -39.14 75.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.769 HD13 ' N ' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -59.43 -50.9 72.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.769 ' N ' HD13 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -67.69 -48.26 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -49.03 61.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 25' ' ' VAL . 4.2 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.845 HG13 HG21 ' A' ' 63' ' ' VAL . 83.7 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 55' ' ' LYS . 1.2 tt -147.71 131.49 17.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.414 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -107.24 113.0 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.599 HG12 HG22 ' A' ' 54' ' ' VAL . 24.4 mt -113.43 127.92 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -112.6 112.8 24.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 8.1 p90 -122.78 150.66 42.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.82 109.14 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.65 126.12 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 50' ' ' GLU . 5.0 mt -91.92 106.37 18.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tmm? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.525 0.202 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 163.42 28.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.587 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 75.8 t -130.08 137.23 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -120.12 122.98 42.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 mtm-85 -91.89 105.31 17.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -102.15 117.76 35.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.698 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -80.64 117.62 21.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 7' ' ' TYR . 6.2 mp -123.16 175.44 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 20.9 mmtm -96.09 156.0 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -26.94 66.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.93 -46.8 67.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -80.33 -43.3 21.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.655 HD13 ' OD1' ' A' ' 44' ' ' ASN . 10.2 tp -57.18 -41.0 78.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -49.23 -47.21 46.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -39.83 79.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' ' 21' ' ' LYS . 98.7 t -66.12 -37.12 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -45.94 90.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.5 p -59.79 -25.98 65.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.39 -0.97 63.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -67.86 -32.72 73.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.631 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -80.14 106.62 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.96 -38.33 4.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.433 HD13 ' HD2' ' A' ' 68' ' ' PRO . 5.1 mt -111.95 125.4 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -100.94 111.09 23.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.89 HG21 HD13 ' A' ' 72' ' ' ILE . 3.3 t -94.37 112.55 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.47 139.44 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 27' ' ' VAL . 23.2 m -45.15 109.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.981 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -42.13 -82.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER 57.66 160.48 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 83.68 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.96 -62.04 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.241 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -135.96 12.82 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -71.71 -33.4 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.66 -25.64 60.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 32' ' ' LEU . 10.9 tt -42.68 163.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -170.84 169.06 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -49.86 142.63 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.65 -30.51 9.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -74.73 -176.6 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.781 ' HD3' HD11 ' A' ' 42' ' ' ILE . 6.3 tttt -139.43 140.71 37.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.62 ' CD1' HG22 ' A' ' 51' ' ' VAL . 6.4 mt -119.48 142.84 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.781 HD11 ' HD3' ' A' ' 40' ' ' LYS . 3.0 mm -121.21 119.54 59.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CD2' HG11 ' A' ' 16' ' ' VAL . 45.4 m-85 -95.17 125.98 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 13' ' ' LEU . 7.7 m120 60.99 15.63 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.5 t0 49.08 59.15 4.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -46.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.4 mt -100.84 110.37 60.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.29 42.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.811 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.9 153.51 35.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.687 ' HB2' HD21 ' A' ' 108' ' ' LEU . 12.6 tt0 -114.07 146.75 39.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.62 HG22 ' CD1' ' A' ' 41' ' ' ILE . 18.8 t -82.63 120.63 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.5 t -89.53 -46.68 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 54' ' ' VAL . 6.5 tp10 -170.61 152.59 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.827 HG23 HG12 ' A' ' 103' ' ' ILE . 5.3 p -121.69 138.7 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 144.73 47.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -133.99 148.16 51.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.415 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 80.0 m-85 -159.11 177.14 11.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.6 mt-10 -105.24 137.0 43.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.503 ' O ' HG21 ' A' ' 100' ' ' VAL . 1.6 m 78.29 164.22 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.435 ' O ' HD13 ' A' ' 64' ' ' LEU . 71.0 m-85 -83.89 -44.05 14.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -52.06 -44.04 64.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 7.6 tp-100 -54.19 -54.3 41.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.582 ' CG2' HG23 ' A' ' 100' ' ' VAL . 3.6 t -61.29 -38.3 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 60' ' ' PHE . 8.5 mp -64.36 -31.38 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -81.25 -39.01 25.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.35 -54.54 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG3' ' HB1' ' A' ' 102' ' ' ALA . 5.9 mm-40 -103.75 156.92 34.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.424 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 52.0 mt -113.13 -38.02 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.05 -31.01 60.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -79.04 -55.09 5.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.89 HD13 HG21 ' A' ' 25' ' ' VAL . 54.5 mt -50.74 -51.45 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -130.73 128.31 22.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.33 16.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.41 -21.04 61.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 13.9 mtmt 58.17 65.02 3.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.7 m -105.44 154.61 20.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.83 -37.67 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -74.21 -45.23 49.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -55.47 -45.37 76.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.64 69.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -51.34 64.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -66.19 -57.91 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -44.16 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.582 HG23 ' CG2' ' A' ' 63' ' ' VAL . 2.3 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.981 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 6.3 tp -145.76 132.91 20.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' HB1' ' HG3' ' A' ' 67' ' ' GLU . . . -115.5 105.43 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.827 HG12 HG23 ' A' ' 54' ' ' VAL . 36.9 mt -99.72 130.65 48.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -105.88 122.03 45.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -135.41 155.94 49.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.25 116.58 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -57.98 127.15 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 50' ' ' GLU . 1.3 mt -82.88 99.29 9.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.516 0.198 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -89.24 155.41 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 42' ' ' ILE . 71.7 t -111.63 123.97 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -112.79 113.06 24.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -90.67 102.16 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.94 132.13 50.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.571 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.5 m-85 -88.53 117.0 27.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 7' ' ' TYR . 2.2 mp -120.12 172.56 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 3.7 mttp -95.85 154.02 17.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.36 -34.15 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.08 -49.66 76.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.558 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -76.83 -45.28 29.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.825 HD11 HD12 ' A' ' 47' ' ' ILE . 14.3 tp -56.29 -40.4 74.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.07 -48.51 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.19 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 21' ' ' LYS . 70.8 t -71.73 -37.74 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.08 -44.56 95.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 p -59.22 -30.73 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.77 -9.28 55.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -58.2 -38.01 75.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.527 ' HB3' HG22 ' A' ' 16' ' ' VAL . 3.2 tptm -74.8 121.4 21.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.05 -45.66 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.527 HD13 ' HD2' ' A' ' 68' ' ' PRO . 7.6 mt -108.03 117.09 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -101.02 111.09 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.405 HG21 HD13 ' A' ' 72' ' ' ILE . 5.1 t -99.27 125.82 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.52 156.0 13.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.1 t -46.07 118.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -41.67 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CD1' ' HD2' ' A' ' 30' ' ' PRO . 9.8 t80 60.57 141.85 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.0 82.87 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.782 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 20.0 tp60 -171.14 -51.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 35' ' ' ILE . 3.1 mt -110.18 -24.74 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -20.65 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -74.52 -24.4 58.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.625 HG23 HG21 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -43.59 158.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.91 162.25 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -52.38 142.62 16.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 98.07 -19.97 52.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.487 ' HB2' HG21 ' A' ' 51' ' ' VAL . 3.5 m-20 -74.31 178.09 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.809 ' HD3' HD11 ' A' ' 42' ' ' ILE . 4.8 tttp -132.68 144.62 50.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.727 ' C ' HD13 ' A' ' 42' ' ' ILE . 18.0 mt -125.93 142.22 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.809 HD11 ' HD3' ' A' ' 40' ' ' LYS . 1.9 mm -120.95 109.85 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD2' HG11 ' A' ' 16' ' ' VAL . 24.5 m-85 -86.32 122.99 31.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 60.37 16.23 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.446 ' HA ' HG22 ' A' ' 42' ' ' ILE . 23.6 t0 49.3 67.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -169.11 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.825 HD12 HD11 ' A' ' 13' ' ' LEU . 31.2 mt -110.23 110.7 58.26 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.38 43.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.97 152.35 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -112.48 147.87 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' A' ' 39' ' ' ASP . 39.2 t -83.27 115.8 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.646 HG22 ' HD2' ' A' ' 106' ' ' ARG . 5.1 t -80.58 -46.58 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -170.22 141.38 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.625 HG21 HG23 ' A' ' 35' ' ' ILE . 72.0 t -127.98 128.98 69.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.0 144.95 37.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -103.74 152.74 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -153.26 176.02 12.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -114.71 149.29 37.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.54 HG22 ' HG3' ' A' ' 61' ' ' ARG . 2.4 m 63.52 133.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 32.5 p90 -67.56 -35.73 79.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.54 ' HG3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -60.62 -40.02 90.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -50.38 73.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.533 ' CG2' HG13 ' A' ' 100' ' ' VAL . 51.8 t -60.56 -31.95 50.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mp -79.24 -14.62 58.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -89.39 -39.37 13.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.15 -62.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.249 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.53 155.93 90.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.527 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.05 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.434 HG22 ' HD2' ' A' ' 77' ' ' PRO . 85.1 mt -117.4 -39.4 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -52.01 -39.13 58.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -73.19 -53.99 9.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 68' ' ' PRO . 79.1 mt -52.83 -44.93 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -138.78 126.88 13.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -22.03 15.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -59.72 -22.14 61.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 35.6 mtmt 59.15 64.9 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD2' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.95 170.99 19.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.2 m -102.6 153.93 19.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.12 -39.8 14.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -43.35 55.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.82 78.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.16 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.753 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -58.76 -45.92 88.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.562 ' N ' HD13 ' A' ' 83' ' ' LEU . 3.2 tttt -71.09 -41.16 70.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -58.19 -46.25 86.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.533 HG13 ' CG2' ' A' ' 63' ' ' VAL . 22.3 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.651 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -159.03 119.0 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.04 105.08 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.651 HG13 HD12 ' A' ' 101' ' ' LEU . 14.0 mt -103.56 124.18 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -109.49 115.35 29.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.9 p90 -128.07 155.32 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.646 ' HD2' HG22 ' A' ' 52' ' ' VAL . 10.4 ptm180 -124.68 118.53 26.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -57.98 136.26 21.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.2 mt -99.47 79.24 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.087 . . . . 0.0 110.982 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tmm? . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.537 0.208 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -84.7 158.83 20.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.531 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 77.5 t -125.36 142.47 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -125.5 103.8 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -84.55 101.03 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.3 mt -99.15 123.11 43.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.667 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -82.32 116.8 21.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 7' ' ' TYR . 5.4 mp -121.77 174.17 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -99.08 169.22 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.52 -36.34 78.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.59 -46.28 86.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -78.74 -43.77 24.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 32.0 tp -52.85 -44.18 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -44.82 -41.84 7.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.1 mtt -62.05 -45.3 94.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.407 ' CG2' ' HE2' ' A' ' 21' ' ' LYS . 48.1 t -64.68 -43.56 96.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -40.43 97.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -59.25 -29.82 67.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.02 -8.7 59.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.133 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -64.83 -37.36 87.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HE2' ' CG2' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -75.19 107.45 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.81 -42.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.661 HD13 ' HD2' ' A' ' 68' ' ' PRO . 5.2 mt -101.79 125.9 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -100.86 111.21 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 72' ' ' ILE . 91.2 t -98.56 105.58 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 -171.59 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 29' ' ' TYR . 31.0 m -97.02 32.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . 42.36 31.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 2.8 t80 -46.25 151.63 0.93 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.04 83.46 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.65 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.748 ' H ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -105.8 -31.39 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -30.84 20.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.89 -29.2 65.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 32' ' ' LEU . 3.3 tt -43.35 164.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -164.71 170.0 16.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 2.4 ttt180 -57.83 140.91 50.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.18 -28.05 14.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' HB2' HG21 ' A' ' 51' ' ' VAL . 45.7 m-20 -73.97 -177.8 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.725 ' HG2' HD11 ' A' ' 42' ' ' ILE . 15.8 ttpt -135.95 146.72 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.439 ' C ' HD13 ' A' ' 42' ' ' ILE . 70.5 mt -128.16 125.29 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.725 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.6 mm -104.55 122.53 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' HD2' HD22 ' A' ' 8' ' ' LEU . 58.8 m-85 -94.38 116.16 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.1 15.07 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.1 t0 54.88 53.97 9.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.43 -50.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -100.71 110.74 61.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.71 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.2 144.8 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' HB3' HD21 ' A' ' 108' ' ' LEU . 4.3 tt0 -108.26 139.76 42.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 39' ' ' ASP . 20.4 t -73.32 118.61 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' A' ' 106' ' ' ARG . 13.0 t -83.07 -48.95 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -176.78 146.96 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 p -124.05 135.05 64.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.66 139.82 33.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -107.86 147.66 30.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 100' ' ' VAL . 42.6 m-85 -140.4 -174.31 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -111.98 124.47 52.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.494 ' N ' HG11 ' A' ' 100' ' ' VAL . 2.3 m 69.29 130.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.452 ' O ' HD23 ' A' ' 64' ' ' LEU . 2.9 m-85 -54.46 -28.95 47.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.33 -48.18 65.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HG2' ' NH2' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -56.6 -48.18 77.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.648 HG23 ' CG2' ' A' ' 100' ' ' VAL . 18.8 t -59.29 -29.13 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.684 HD12 HD11 ' A' ' 69' ' ' ILE . 2.4 mm? -77.51 -16.36 58.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.406 ' NH2' ' HG2' ' A' ' 62' ' ' GLN . 0.7 OUTLIER -88.47 -43.88 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -76.15 -59.25 2.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HG2' HG21 ' A' ' 23' ' ' ILE . 22.3 mp0 -84.09 146.16 47.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.661 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 174.95 11.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.684 HD11 HD12 ' A' ' 64' ' ' LEU . 4.3 mt -111.46 -33.36 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.09 -29.75 65.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.29 -52.26 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.585 HD13 HG21 ' A' ' 25' ' ' VAL . 81.9 mt -49.71 -40.34 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 72' ' ' ILE . 29.5 m-85 -146.97 137.59 12.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -26.21 11.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -17.31 19.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 15.1 mtmt 48.08 64.21 8.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.04 -177.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -97.9 153.4 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -46.61 -41.18 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -75.13 -46.0 37.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -56.97 -52.93 63.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -50.93 -39.87 55.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.96 -34.92 71.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.86 -58.52 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -55.94 -30.7 62.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.648 ' CG2' HG23 ' A' ' 63' ' ' VAL . 2.6 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -158.7 145.35 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.613 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -130.4 105.56 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.535 HG13 HD12 ' A' ' 101' ' ' LEU . 6.0 mt -101.44 116.67 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -99.47 112.56 24.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.513 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 4.7 p90 -126.68 151.28 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.462 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -119.88 104.02 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -52.84 130.11 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 50' ' ' GLU . 3.2 mt -96.29 140.21 31.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ttt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.485 0.183 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -73.85 155.08 39.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.627 HG22 ' HE3' ' A' ' 40' ' ' LYS . 77.5 t -120.57 127.72 75.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.446 ' CE2' HD12 ' A' ' 35' ' ' ILE . 13.8 m-85 -116.58 103.63 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -83.0 103.37 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt -104.01 121.47 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.638 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.21 118.68 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.7 mp -123.11 -179.64 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -101.83 165.26 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -38.16 88.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.4 -49.49 72.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -80.85 -46.58 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.49 -38.79 63.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.19 -40.29 32.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.454 ' CE ' ' HG2' ' A' ' 74' ' ' PRO . 14.3 mtt -61.46 -47.57 85.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.6 HG22 ' HB3' ' A' ' 21' ' ' LYS . 93.9 t -58.38 -41.3 81.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -65.66 -38.5 89.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.7 p -64.96 -26.43 68.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.39 -12.4 61.64 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -60.66 -33.92 73.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 16' ' ' VAL . 3.4 tptt -79.99 103.92 10.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.76 -44.02 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.5 mt -105.9 128.19 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -101.97 114.07 27.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.563 HG21 HD13 ' A' ' 72' ' ' ILE . 25.1 t -106.74 136.02 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.21 157.3 3.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 m -45.5 133.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -77.93 58.71 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.534 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -81.08 164.89 48.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.534 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.5 Cg_endo -74.93 84.46 1.65 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.12 -43.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -113.27 -31.17 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -25.05 23.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.79 -31.8 68.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.551 HG21 HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -40.48 152.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -156.18 174.3 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HA ' HG12 ' A' ' 51' ' ' VAL . 10.7 ttt180 -68.2 142.99 55.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.16 -25.56 27.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.39 -175.32 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.627 ' HE3' HG22 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -144.03 146.03 32.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.775 ' C ' HD13 ' A' ' 42' ' ' ILE . 6.0 mt -123.35 138.59 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.775 HD13 ' C ' ' A' ' 41' ' ' ILE . 1.7 mm -111.77 113.98 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -87.43 125.98 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 m120 57.85 17.67 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.45 ' OD1' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 48.34 66.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tp -168.87 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -107.46 110.67 63.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.76 42.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.28 149.01 28.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -114.41 145.22 42.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 37' ' ' ARG . 89.6 t -78.55 113.82 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.458 HG22 ' CD ' ' A' ' 106' ' ' ARG . 8.2 t -77.56 -46.21 27.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -170.96 145.71 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG23 HG12 ' A' ' 103' ' ' ILE . 9.0 p -112.84 143.65 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -139.24 138.23 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.461 ' HG3' HD22 ' A' ' 101' ' ' LEU . 4.5 tttt -128.83 141.17 51.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' HD2' HG22 ' A' ' 63' ' ' VAL . 11.1 m-85 -137.67 -171.93 3.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.554 ' O ' HG11 ' A' ' 100' ' ' VAL . 3.0 mt-10 -107.64 -63.91 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 p -85.84 155.51 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.7 -41.97 20.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -38.97 58.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -35.56 80.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.744 HG21 HG23 ' A' ' 100' ' ' VAL . 23.9 t -65.1 -37.24 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 9.0 mp -76.38 -6.67 52.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -94.19 -42.54 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.48 -47.69 10.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 22.2 mp0 -92.76 146.2 31.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.39 14.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.428 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 47.7 mt -112.74 -33.03 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -60.05 -46.22 90.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -66.32 -49.99 65.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.563 HD13 HG21 ' A' ' 25' ' ' VAL . 49.3 mt -56.65 -54.13 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -123.49 127.18 25.63 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.454 ' HG2' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.94 -18.63 18.73 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.532 1.806 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -9.58 58.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 6.3 mtmp? 47.47 64.31 8.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -101.6 153.23 19.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -46.65 -41.56 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -44.78 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.239 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -58.88 -52.59 65.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.528 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -48.95 -41.09 32.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -40.19 72.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -60.69 -58.95 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -54.16 -48.66 70.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.744 HG23 HG21 ' A' ' 63' ' ' VAL . 2.4 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.616 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -148.45 120.31 8.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.419 ' HB1' ' HG2' ' A' ' 67' ' ' GLU . . . -106.85 108.15 19.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.616 HG13 HD12 ' A' ' 101' ' ' LEU . 48.5 mt -104.19 132.98 49.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -109.47 130.3 55.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 3.2 p90 -145.5 150.9 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.458 ' CD ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -122.43 112.78 18.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 107' ' ' VAL . 10.6 p -55.82 118.27 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.38 123.36 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.496 0.189 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 158.66 32.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.467 HG13 ' CG1' ' A' ' 42' ' ' ILE . 74.2 t -119.95 134.02 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -121.93 114.81 21.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -87.85 105.29 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.23 125.66 50.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.548 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.4 m-85 -83.92 118.93 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 7' ' ' TYR . 1.4 mp -120.53 179.64 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.54 153.05 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -27.64 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.28 -52.52 32.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.2 m-30 -74.98 -40.4 60.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.652 HD11 ' CD1' ' A' ' 47' ' ' ILE . 11.9 tp -58.11 -43.99 87.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.56 -49.23 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -39.54 90.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.478 HG11 ' CD2' ' A' ' 43' ' ' PHE . 70.4 t -64.68 -38.72 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -41.55 93.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.2 p -59.75 -23.69 63.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.05 -7.25 73.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -62.53 -37.47 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -73.0 107.56 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.89 -40.88 2.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.512 HD13 ' CD ' ' A' ' 67' ' ' GLU . 66.6 mt -102.53 121.39 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -102.63 112.1 24.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 72' ' ' ILE . 49.2 t -99.59 122.73 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -157.61 141.89 16.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -42.32 135.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 101' ' ' LEU . . . -75.69 60.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -82.68 163.52 51.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.99 81.88 2.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.401 ' C ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -174.01 -49.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 31' ' ' GLN . 2.7 mt -110.64 -24.23 10.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -23.44 57.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -29.96 63.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -42.28 159.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.97 163.9 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.09 135.72 56.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.95 -27.68 11.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.36 -175.59 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' CD ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -137.07 154.06 50.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.446 ' O ' HD13 ' A' ' 42' ' ' ILE . 24.6 mt -135.44 139.47 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG1' HG13 ' A' ' 3' ' ' VAL . 1.5 mm -120.13 116.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.478 ' CD2' HG11 ' A' ' 16' ' ' VAL . 39.9 m-85 -86.8 122.8 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.45 14.23 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER 52.64 56.93 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.537 HD23 HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -158.27 -46.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.652 ' CD1' HD11 ' A' ' 13' ' ' LEU . 3.0 mt -102.38 110.67 63.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.38 40.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.29 143.97 24.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.76 147.59 30.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.98 121.86 31.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.3 t -89.84 -49.8 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -163.29 148.46 11.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG23 HG12 ' A' ' 103' ' ' ILE . 3.7 p -128.24 127.96 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 57' ' ' TYR . 1.9 mmtp -142.81 149.08 38.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -126.69 151.99 47.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.52 ' CE1' ' HD2' ' A' ' 55' ' ' LYS . 45.6 m-85 -150.5 179.58 8.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.841 ' O ' HG22 ' A' ' 59' ' ' THR . 2.3 mt-10 -106.89 156.77 18.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 58' ' ' GLU . 14.7 t 52.99 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 18.5 p90 -99.63 -39.5 8.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.609 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -50.65 -36.28 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.528 ' H ' HG23 ' A' ' 59' ' ' THR . 0.4 OUTLIER -74.56 -52.64 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.494 HG21 HG23 ' A' ' 100' ' ' VAL . 3.0 t -51.77 -30.22 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HG ' HD11 ' A' ' 69' ' ' ILE . 5.9 mp -73.36 -29.11 62.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' GLN . 2.1 mmp_? -77.2 -39.49 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 2.7 tt0 -76.52 -56.5 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.512 ' CD ' HD13 ' A' ' 23' ' ' ILE . 4.7 mm-40 -92.85 151.34 40.7 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 172.58 16.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 22.5 mt -112.62 -31.3 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.24 -34.64 76.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -75.6 -56.17 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.442 HD13 HG21 ' A' ' 25' ' ' VAL . 48.5 mt -50.31 -44.62 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 65.3 m-85 -135.36 130.95 19.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 73' ' ' PHE . 18.4 Cg_endo -74.95 -22.13 15.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -20.58 52.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt 50.74 64.94 7.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.02 -169.97 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -111.86 153.48 26.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.37 -40.64 17.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.59 57.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -49.01 77.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.25 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -51.28 67.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -54.84 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -41.66 -46.51 3.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.494 HG23 HG21 ' A' ' 63' ' ' VAL . 9.1 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.755 HD22 HG13 ' A' ' 103' ' ' ILE . 2.4 tt -122.86 130.91 53.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.529 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -110.34 104.62 13.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.755 HG13 HD22 ' A' ' 101' ' ' LEU . 40.7 mt -99.58 133.05 43.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.1 113.44 23.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 2.9 p90 -126.91 153.3 45.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 3.7 ttp180 -121.56 114.41 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 107' ' ' VAL . 14.9 p -57.92 119.09 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.1 mt -73.38 101.95 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.544 0.211 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.1 tttt -113.07 165.1 12.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.482 HG13 ' CG1' ' A' ' 42' ' ' ILE . 66.1 t -121.67 138.45 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -126.55 114.36 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -86.15 103.06 14.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.8 mt -105.18 118.02 35.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.492 ' O ' HD12 ' A' ' 8' ' ' LEU . 7.1 m-85 -81.3 117.09 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 7' ' ' TYR . 2.7 mp -118.95 176.73 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -98.05 148.22 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -28.57 42.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.25 -51.83 48.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.3 m-30 -75.38 -43.92 47.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.574 HD11 HD12 ' A' ' 47' ' ' ILE . 8.4 tp -53.21 -42.64 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.69 -49.05 10.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -45.29 81.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.721 HG22 ' HB3' ' A' ' 21' ' ' LYS . 46.2 t -60.24 -44.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -59.44 -40.93 88.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 p -64.72 -29.35 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.19 -21.08 31.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -50.9 -47.86 60.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.721 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -66.54 110.8 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -127.14 -44.8 1.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 26.5 mt -106.65 125.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 25' ' ' VAL . 6.4 tp10 -109.35 114.8 28.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 101' ' ' LEU . 97.0 t -108.11 101.63 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.74 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.6 tpt180 -140.12 68.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.282 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 26' ' ' ARG . 6.2 p 50.77 178.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.716 ' H ' HG22 ' A' ' 27' ' ' VAL . . . -126.73 58.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -84.61 169.26 17.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.05 84.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 -55.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -136.98 15.6 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -82.18 -31.9 30.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 1.1 t70 -72.76 -26.85 61.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 32' ' ' LEU . 5.5 tt -45.98 154.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -158.72 179.76 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -59.77 141.42 55.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.57 -18.29 38.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.06 177.1 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 16.1 ttpt -130.09 145.48 51.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.489 HD11 HD13 ' A' ' 35' ' ' ILE . 58.6 mt -127.7 133.2 68.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.482 ' CG1' HG13 ' A' ' 3' ' ' VAL . 3.2 mm -114.45 123.91 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.56 ' CD2' HG11 ' A' ' 16' ' ' VAL . 22.3 m-85 -97.64 127.69 43.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 59.61 16.92 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER 48.71 60.45 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.9 tp -160.03 -51.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.574 HD12 HD11 ' A' ' 13' ' ' LEU . 6.3 mt -102.3 111.37 64.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.62 42.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.06 146.33 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -108.99 143.19 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.2 t -78.0 113.41 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.5 t -79.42 -49.03 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -170.99 145.24 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.762 HG23 HG12 ' A' ' 103' ' ' ILE . 7.1 p -115.75 139.85 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -140.09 137.05 34.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -125.74 141.41 52.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 41.0 m-85 -132.48 -175.53 3.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -112.33 -45.31 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 63' ' ' VAL . 40.6 m -92.46 126.56 37.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 52.0 p90 -65.55 -38.95 91.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -61.51 -45.23 95.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 65' ' ' ARG . 1.4 tm0? -58.59 -36.11 73.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.904 HG21 HG13 ' A' ' 100' ' ' VAL . 49.7 t -58.52 -38.23 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.587 HD12 ' CG1' ' A' ' 69' ' ' ILE . 2.3 mm? -71.65 -21.6 61.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' A' ' 65' ' ' ARG . 1.7 mmp_? -80.54 -44.92 18.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.75 -60.75 2.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -77.18 148.94 78.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 72' ' ' ILE . 18.5 Cg_endo -74.94 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.587 ' CG1' HD12 ' A' ' 64' ' ' LEU . 4.6 mt -112.23 -36.82 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.22 -45.44 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -70.82 -55.9 7.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 68' ' ' PRO . 60.5 mt -48.55 -55.76 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -122.27 128.2 25.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.14 9.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -15.16 35.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 7.4 mtmt 53.66 64.33 6.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 173.36 14.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.8 m -94.41 154.3 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -46.8 -41.11 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -44.13 47.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -52.72 64.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.01 -39.84 28.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -61.72 -41.2 97.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.413 ' N ' HD13 ' A' ' 83' ' ' LEU . 6.2 ttmt -74.14 -47.17 37.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -49.41 -46.71 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.904 HG13 HG21 ' A' ' 63' ' ' VAL . 66.1 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.567 HD13 ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -159.07 143.88 15.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.567 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -148.19 106.47 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.762 HG12 HG23 ' A' ' 54' ' ' VAL . 39.3 mt -104.28 131.35 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -99.83 117.46 34.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.2 p90 -129.61 152.51 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.433 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 5.8 mtp180 -125.94 122.82 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.44 121.48 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.76 97.35 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.48 0.181 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -86.57 166.58 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' A' ' 42' ' ' ILE . 65.0 t -120.02 133.61 66.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.524 ' HB3' HD21 ' A' ' 6' ' ' LEU . 67.1 m-85 -125.1 121.19 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -93.84 92.35 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 6' ' ' LEU . 3.8 mt -86.61 119.98 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.72 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -81.23 116.14 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 7' ' ' TYR . 9.7 mp -127.37 169.3 13.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.36 162.35 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -31.35 71.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.56 -50.12 72.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.4 m-85 -79.27 -45.45 19.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.56 HD11 HD12 ' A' ' 47' ' ' ILE . 12.0 tp -53.28 -43.88 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -45.72 -41.48 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.06 -44.1 97.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' A' ' 21' ' ' LYS . 88.8 t -60.92 -38.48 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.178 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -61.86 -47.59 84.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.0 p -59.01 -28.12 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CD ' ' A' ' 22' ' ' ARG . . . 102.97 -13.73 56.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -54.34 -51.11 65.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.624 ' HB3' HG22 ' A' ' 16' ' ' VAL . 1.9 tptp -57.14 107.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -123.6 -42.29 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mt -113.55 113.49 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -106.12 111.21 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' A' ' 102' ' ' ALA . 34.6 t -106.86 101.25 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.11 58.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 28' ' ' ALA . 61.4 t 61.33 159.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -96.97 56.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.48 157.14 0.38 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -116.16 -3.25 12.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -118.3 -49.31 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -26.49 4.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.11 -29.43 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.575 HG21 ' CD1' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -41.4 152.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.87 159.53 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -58.58 133.25 55.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.45 -10.09 53.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' HB2' HG21 ' A' ' 51' ' ' VAL . 11.8 m-20 -78.03 -177.78 5.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.819 ' HG2' HD11 ' A' ' 42' ' ' ILE . 12.3 ttpt -135.63 135.04 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.984 ' C ' HD13 ' A' ' 42' ' ' ILE . 42.6 mt -116.8 134.14 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.984 HD13 ' C ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -114.8 106.43 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CD2' HG21 ' A' ' 16' ' ' VAL . 28.7 m-85 -79.39 123.86 27.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.8 m120 61.1 14.71 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 t70 52.39 64.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 tp -167.1 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.56 HD12 HD11 ' A' ' 13' ' ' LEU . 9.0 mt -106.34 110.61 64.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 153.75 42.08 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.53 151.71 33.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -112.77 145.11 41.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.557 HG21 ' HB2' ' A' ' 39' ' ' ASP . 15.6 t -78.04 125.32 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 7.0 t -91.54 -47.35 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -168.22 146.3 4.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.79 138.23 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -137.01 153.18 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -125.19 140.29 52.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . 50.1 m-85 -138.26 -170.46 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -120.16 177.15 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.2 p 40.72 -138.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.499 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 45.7 p90 -143.07 -45.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.499 ' N ' ' CG ' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -53.28 -38.86 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -59.93 -42.19 93.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.77 HG21 HG23 ' A' ' 100' ' ' VAL . 4.8 t -61.0 -31.97 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.745 HD23 HD11 ' A' ' 69' ' ' ILE . 5.8 mp -74.35 -21.91 59.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.468 ' CG ' ' HD3' ' A' ' 61' ' ' ARG . 5.5 mmm180 -86.79 -42.33 13.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -63.26 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.53 153.82 46.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 175.13 11.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.745 HD11 HD23 ' A' ' 64' ' ' LEU . 34.0 mt -113.43 -36.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -53.9 -41.96 68.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -72.36 -56.74 4.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 55.7 mt -46.29 -49.58 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -134.45 128.33 19.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.71 13.52 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -17.39 24.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 52.48 68.17 3.33 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.5 Cg_endo -74.96 178.99 6.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.537 1.809 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.4 m -108.16 155.53 20.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -48.08 -39.01 18.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -40.81 63.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -42.08 87.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.22 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 84' ' ' LYS . 0.4 OUTLIER -67.61 -45.77 74.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.628 ' N ' HD23 ' A' ' 83' ' ' LEU . 4.0 tptt -72.44 -50.62 24.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -48.62 11.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.77 HG23 HG21 ' A' ' 63' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.628 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -158.76 119.48 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.44 ' HA ' HG22 ' A' ' 25' ' ' VAL . . . -105.89 105.1 14.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.575 ' CD1' HG21 ' A' ' 35' ' ' ILE . 34.5 mt -97.33 131.83 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -110.87 117.37 33.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.523 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 41.9 p90 -130.09 156.45 44.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.47 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -123.13 110.28 15.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.55 128.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.3 mt -85.34 107.33 17.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.53 0.205 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -103.51 158.56 16.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.514 HG13 ' CG1' ' A' ' 42' ' ' ILE . 46.2 t -115.34 137.51 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CG ' HD12 ' A' ' 35' ' ' ILE . 33.6 m-85 -127.27 109.32 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' C ' HD23 ' A' ' 6' ' ' LEU . 78.4 mtm180 -89.26 100.14 12.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 6' ' ' LEU . 5.1 mt -97.68 123.91 41.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.699 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.5 m-85 -80.95 116.5 20.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 7' ' ' TYR . 6.3 mp -122.81 178.88 4.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.02 153.4 20.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -40.45 62.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.81 -52.01 66.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.4 m-30 -71.97 -48.03 47.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' A' ' 47' ' ' ILE . 16.3 tp -53.35 -42.92 67.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -44.87 -48.66 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -42.64 90.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.7 HG11 ' CD2' ' A' ' 43' ' ' PHE . 91.3 t -63.81 -47.67 89.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -42.09 86.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.9 p -59.34 -26.58 65.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.943 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.85 -20.87 46.07 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -52.9 -44.21 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -71.85 106.36 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.42 -40.57 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.487 HG22 HG23 ' A' ' 25' ' ' VAL . 33.4 mt -107.52 127.33 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -109.56 111.17 22.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.756 HG22 ' HA ' ' A' ' 102' ' ' ALA . 97.1 t -125.0 131.92 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.68 -68.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 m -150.15 179.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 101' ' ' LEU . . . -127.47 27.43 5.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 1.4 t80 -42.09 153.19 0.29 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.04 91.34 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.18 -44.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -106.59 -35.75 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -31.72 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -58.96 -33.63 70.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.588 HD12 ' CG ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -42.25 162.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.8 ' HA ' HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -167.38 -178.24 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.65 148.65 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.2 -5.51 78.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' HB2' HG21 ' A' ' 51' ' ' VAL . 98.6 m-20 -94.39 -179.88 5.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.755 ' HG2' HD11 ' A' ' 42' ' ' ILE . 12.8 ttpt -134.14 141.5 47.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.569 ' C ' HD13 ' A' ' 42' ' ' ILE . 28.5 mt -122.56 132.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.755 HD11 ' HG2' ' A' ' 40' ' ' LYS . 1.5 mm -112.59 111.19 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.7 ' CD2' HG11 ' A' ' 16' ' ' VAL . 29.1 m-85 -80.6 120.68 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.06 17.92 7.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.6 t0 51.55 60.77 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -159.64 -50.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.529 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.3 mt -101.31 110.73 62.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.1 41.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.11 146.58 26.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -110.17 141.92 42.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 39' ' ' ASP . 14.8 t -74.46 123.47 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.6 t -90.32 -47.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -167.12 144.17 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.8 HG11 ' HA ' ' A' ' 36' ' ' LYS . 7.4 p -128.02 134.43 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -142.96 149.68 38.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -114.82 150.54 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.437 ' HB2' HG22 ' A' ' 63' ' ' VAL . 94.5 m-85 -141.63 -170.91 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -129.4 127.23 40.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m 74.12 124.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.457 ' O ' HD13 ' A' ' 64' ' ' LEU . 46.8 p90 -57.31 -30.62 64.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -36.6 78.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -47.26 60.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.963 HG21 HG23 ' A' ' 100' ' ' VAL . 89.3 t -53.68 -33.34 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 60' ' ' PHE . 6.0 mp -69.53 -24.97 63.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -87.46 -40.97 13.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.72 -61.25 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -91.47 156.62 43.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 173.08 15.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.422 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 57.7 mt -114.87 -38.7 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -51.5 -30.01 18.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -82.69 -51.4 7.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 84.4 mt -53.66 -61.68 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -118.99 128.91 25.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -20.78 16.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -15.45 46.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 9.6 mtmm 52.62 64.47 7.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.07 174.44 12.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -104.65 152.39 22.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -47.14 -41.19 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -40.52 60.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -63.75 -47.55 80.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.84 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -52.39 64.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -54.92 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -41.05 -47.01 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.963 HG23 HG21 ' A' ' 63' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -158.73 130.13 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.756 ' HA ' HG22 ' A' ' 25' ' ' VAL . . . -112.13 107.34 16.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mt -102.66 125.04 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -108.32 115.23 29.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.466 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 7.1 p90 -128.84 153.18 47.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.437 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 3.3 mtt180 -123.81 109.59 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.31 127.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -80.15 93.07 5.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.514 0.197 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -73.66 162.37 29.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.645 HG13 HD11 ' A' ' 42' ' ' ILE . 74.9 t -121.61 123.69 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CD2' HD12 ' A' ' 35' ' ' ILE . 10.3 m-85 -110.86 118.17 35.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -94.13 108.85 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 mt -103.37 122.62 45.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.734 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -80.82 116.32 20.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 7' ' ' TYR . 7.5 mp -124.77 169.56 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -99.39 149.13 23.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.5 -27.48 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.81 -54.52 44.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -82.69 -39.59 21.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.511 HD22 ' OD1' ' A' ' 44' ' ' ASN . 8.8 tp -53.63 -51.02 64.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -45.13 -41.62 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -38.86 89.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.85 HG22 ' HB3' ' A' ' 21' ' ' LYS . 58.2 t -69.83 -40.18 78.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.88 -38.14 89.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.5 p -64.85 -27.45 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.34 -24.37 22.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -48.33 -56.48 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.85 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -59.84 114.27 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -129.74 -44.04 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.7 mt -111.47 119.89 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -105.82 120.67 42.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 101' ' ' LEU . 1.4 p -108.61 135.03 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.538 ' O ' HG12 ' A' ' 27' ' ' VAL . 7.2 ttt180 -177.95 83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.759 HG22 ' H ' ' A' ' 28' ' ' ALA . 2.4 p 44.9 -169.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.759 ' H ' HG22 ' A' ' 27' ' ' VAL . . . -137.71 78.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -90.1 170.1 11.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.31 9.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 18.3 tp60 -105.76 2.25 27.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.3 mt -145.26 -52.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -49.78 -30.45 9.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.9 -33.96 76.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.512 HG21 HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -47.14 158.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.36 166.73 6.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -56.32 136.94 53.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.54 -22.63 28.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 0.8 OUTLIER -82.14 -171.9 3.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.736 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.633 ' CD ' HD11 ' A' ' 42' ' ' ILE . 10.6 ttmm -141.02 140.26 34.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.524 ' C ' HD13 ' A' ' 42' ' ' ILE . 65.4 mt -117.67 140.49 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.645 HD11 HG13 ' A' ' 3' ' ' VAL . 1.2 mm -122.0 122.51 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.51 ' CD2' HG11 ' A' ' 16' ' ' VAL . 62.1 m-85 -96.29 118.71 33.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.511 ' OD1' HD22 ' A' ' 13' ' ' LEU . 0.3 OUTLIER 65.77 14.59 9.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 60.0 t0 52.94 58.24 5.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.33 -48.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.431 HD13 ' HG2' ' A' ' 17' ' ' LYS . 3.9 mt -101.53 110.4 61.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.38 42.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.91 149.32 29.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -109.17 138.25 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 t -73.65 124.59 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.7 HG21 ' HD3' ' A' ' 106' ' ' ARG . 20.2 t -90.0 -49.13 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.06 149.14 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.29 137.9 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 136.97 36.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HA ' HD22 ' A' ' 101' ' ' LEU . 7.2 tttp -118.88 140.84 49.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.4 ' OH ' ' CD ' ' A' ' 66' ' ' GLU . 57.8 m-85 -142.63 -170.85 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' C ' ' HG1' ' A' ' 59' ' ' THR . 11.6 pt-20 -115.44 -172.91 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.405 ' HG1' ' C ' ' A' ' 58' ' ' GLU . 62.3 p 38.16 -157.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -117.9 -49.94 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -51.03 -38.88 54.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -50.6 -55.26 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.658 ' CG2' HG23 ' A' ' 100' ' ' VAL . 2.6 t -61.51 -32.39 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.552 HD23 HD11 ' A' ' 69' ' ' ILE . 8.5 mp -75.69 -20.82 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' ARG . 7.7 mmm180 -88.26 -41.0 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -75.82 -60.38 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HG3' ' HB1' ' A' ' 102' ' ' ALA . 26.6 mm-40 -93.17 148.54 35.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.26 10.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.552 HD11 HD23 ' A' ' 64' ' ' LEU . 31.3 mt -110.32 -28.8 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -60.5 -41.39 94.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -74.52 -56.12 5.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.466 HG22 ' CE1' ' A' ' 73' ' ' PHE . 45.2 mt -50.84 -43.09 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.466 ' CE1' HG22 ' A' ' 72' ' ' ILE . 21.1 m-85 -137.33 121.73 12.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.26 17.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.446 1.761 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.12 -21.22 58.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 9.1 mtmt 56.13 64.51 5.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.0 -175.45 2.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 m -102.95 151.83 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -46.89 -41.28 15.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -43.24 55.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -52.21 65.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.35 32.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -51.83 63.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -55.1 -50.07 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -44.05 87.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 64' ' ' LEU . 1.9 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.658 HG23 ' CG2' ' A' ' 63' ' ' VAL . 2.9 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -155.33 141.38 18.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.505 ' HB1' ' HG3' ' A' ' 67' ' ' GLU . . . -135.52 108.35 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.512 HD13 HG21 ' A' ' 35' ' ' ILE . 36.5 mt -101.3 132.01 47.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.5 116.22 31.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 21.2 p90 -130.88 152.91 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.7 ' HD3' HG21 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -121.35 116.18 24.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.5 p -61.12 135.75 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mt -99.59 89.8 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.467 0.175 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -87.01 153.57 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.529 HG13 HG12 ' A' ' 42' ' ' ILE . 54.9 t -111.53 136.66 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.569 ' CE1' HD12 ' A' ' 35' ' ' ILE . 23.1 m-85 -125.22 105.25 8.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -81.83 94.05 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -94.63 122.32 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -84.78 116.96 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 7' ' ' TYR . 4.0 mp -121.62 169.98 10.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -89.29 157.26 18.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -33.62 71.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.77 -53.07 62.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -77.73 -46.27 22.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 ' ND2' ' A' ' 44' ' ' ASN . 7.4 tp -52.95 -43.05 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -45.56 -48.04 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 mtt -58.03 -44.88 87.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -58.53 -38.82 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -41.57 94.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 p -59.12 -37.0 76.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.63 -1.94 34.27 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 124.52 22.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.13 -46.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.464 HD13 ' HD2' ' A' ' 68' ' ' PRO . 3.3 mp -98.3 126.83 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' C ' ' CD ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -108.54 111.07 22.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 m -106.51 111.3 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -162.23 167.52 23.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.478 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 78.5 t -45.06 129.48 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.758 ' CB ' HD13 ' A' ' 101' ' ' LEU . . . -75.58 59.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' HB2' HD12 ' A' ' 32' ' ' LEU . 23.2 m-85 -54.94 161.72 2.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.77 21.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 8.66 37.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 29' ' ' TYR . 16.9 mt -135.85 -53.02 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HA ' HD21 ' A' ' 101' ' ' LEU . 1.5 pptp? -50.36 -31.59 15.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.77 -27.4 64.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 4' ' ' TYR . 0.5 OUTLIER -50.41 153.24 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -164.6 177.4 8.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.22 131.83 48.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.94 -17.52 35.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.31 -179.67 7.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.603 ' HG2' HD11 ' A' ' 42' ' ' ILE . 17.6 ttpt -138.19 144.41 40.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 49' ' ' ALA . 63.1 mt -129.02 127.61 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.603 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.5 mm -106.57 114.87 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.571 ' CD2' HD22 ' A' ' 8' ' ' LEU . 15.1 m-85 -86.81 126.54 34.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.579 ' ND2' HD22 ' A' ' 13' ' ' LEU . 3.9 m120 60.54 15.96 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 51.27 59.25 4.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.6 tp -161.87 -48.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.471 HD12 HD11 ' A' ' 13' ' ' LEU . 5.5 mt -104.12 110.53 64.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.401 ' HB3' HD12 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.05 160.5 39.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' HB1' ' HD1' ' A' ' 105' ' ' PHE . . . -151.01 147.18 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -110.37 139.4 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 t -75.51 120.41 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.524 HG23 ' HA ' ' A' ' 105' ' ' PHE . 6.1 t -89.82 -45.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -166.4 159.31 14.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.72 147.35 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -142.65 149.35 38.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.541 ' HG3' HD12 ' A' ' 101' ' ' LEU . 17.6 tttm -136.47 144.79 44.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.534 ' CE1' ' OE1' ' A' ' 62' ' ' GLN . 5.0 m-85 -146.02 -171.34 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -106.67 -60.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 p -93.66 149.41 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -35.97 69.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -50.9 -41.0 58.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.534 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -65.27 -37.02 85.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.74 HG21 HG13 ' A' ' 100' ' ' VAL . 55.7 t -63.48 -28.85 45.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.31 -12.37 59.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -88.12 -45.86 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -55.46 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 41.2 mp0 -84.66 149.08 53.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.464 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 174.12 13.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 46.3 mt -111.88 -34.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.6 -36.76 76.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -73.03 -54.82 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.7 mt -47.29 -51.45 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 17.2 m-85 -135.52 136.43 23.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.99 -23.44 13.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.56 -19.1 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 50.65 66.76 5.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -104.9 155.49 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.03 -39.94 13.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.1 -48.71 22.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -46.63 83.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.24 -33.97 63.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -52.31 22.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -60.98 -53.67 54.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -41.98 -48.79 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.74 HG13 HG21 ' A' ' 63' ' ' VAL . 3.1 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.758 HD13 ' CB ' ' A' ' 28' ' ' ALA . 5.0 tp -126.91 121.49 31.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 55' ' ' LYS . . . -99.61 104.63 16.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.3 mt -102.77 126.86 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -107.7 128.97 55.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.524 ' HA ' HG23 ' A' ' 52' ' ' VAL . 5.9 p90 -149.65 156.94 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.433 ' HG2' HG22 ' A' ' 52' ' ' VAL . 4.0 ptm180 -135.3 123.56 23.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.3 p -57.07 135.33 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mt -85.8 95.73 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 110.971 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.513 0.197 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -85.24 158.11 20.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.477 HG13 ' CG1' ' A' ' 42' ' ' ILE . 55.4 t -117.13 131.92 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.47 ' CE2' HD12 ' A' ' 35' ' ' ILE . 13.8 m-85 -117.52 126.56 52.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -97.12 78.95 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.8 mt -75.21 123.02 24.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.739 ' C ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -82.69 116.72 22.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.739 HD12 ' C ' ' A' ' 7' ' ' TYR . 6.7 mp -123.58 159.83 28.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 6.0 mttp -87.8 160.15 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -34.86 69.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.98 -57.93 6.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.7 m-30 -64.64 -41.13 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.415 HD11 HD12 ' A' ' 47' ' ' ILE . 8.3 tp -58.33 -44.19 88.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -49.09 12.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtt -56.61 -43.6 80.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.75 HG11 ' CD2' ' A' ' 43' ' ' PHE . 80.4 t -62.49 -35.73 71.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -29.81 64.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.1 p -70.19 -27.52 64.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.7 -17.48 49.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -45.88 87.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.671 ' HB3' HG22 ' A' ' 16' ' ' VAL . 3.0 tptm -65.99 108.64 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.11 -44.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.1 mt -108.24 123.87 64.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 14.5 pt-20 -112.75 110.95 21.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 101' ' ' LEU . 7.3 p -106.19 113.61 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.471 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -150.48 82.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 26' ' ' ARG . 34.6 m 45.13 -168.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.01 33.01 2.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -56.73 166.26 1.39 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.28 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.749 ' HG3' HD23 ' A' ' 32' ' ' LEU . 5.8 tp-100 -153.49 -64.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.749 HD23 ' HG3' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -133.53 17.37 3.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -76.93 -23.47 52.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.82 -25.62 35.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.644 HG23 HG21 ' A' ' 54' ' ' VAL . 2.1 tt -41.95 161.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.34 177.23 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 6.7 ttt180 -58.95 140.55 55.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.43 -27.57 15.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.72 -177.7 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HG2' HD11 ' A' ' 42' ' ' ILE . 22.7 ttpt -134.31 142.34 47.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' ALA . 41.7 mt -127.09 128.2 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.582 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.3 mm -113.38 116.92 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.75 ' CD2' HG11 ' A' ' 16' ' ' VAL . 31.6 m-85 -84.48 122.54 29.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 1.4 m120 63.39 13.68 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.8 t0 55.24 50.2 15.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -149.31 -49.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.415 HD12 HD11 ' A' ' 13' ' ' LEU . 4.7 mt -101.53 110.9 63.0 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 152.04 40.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.02 149.13 29.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -107.05 149.21 27.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.81 115.73 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 106' ' ' ARG . 7.4 t -76.58 -48.64 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -174.77 142.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.644 HG21 HG23 ' A' ' 35' ' ' ILE . 87.5 t -121.83 134.32 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -142.49 155.28 45.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' CD ' HD23 ' A' ' 101' ' ' LEU . 6.3 ttpt -124.93 143.08 51.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 55' ' ' LYS . 69.2 m-85 -139.34 -171.85 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.07 149.65 43.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 61' ' ' ARG . 99.6 m 61.49 108.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.381 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -46.69 -27.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -65.94 -43.31 88.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -48.22 82.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.564 ' CG2' HG23 ' A' ' 100' ' ' VAL . 13.3 t -54.46 -30.28 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.25 -29.9 63.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -83.45 -41.21 18.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.2 -55.37 8.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -95.78 158.95 33.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.38 14.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.5 HG22 ' HD2' ' A' ' 77' ' ' PRO . 71.0 mt -115.72 -40.16 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -55.17 -28.68 54.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -80.01 -55.74 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.421 HG22 ' CE2' ' A' ' 73' ' ' PHE . 39.2 mt -44.26 -46.41 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.421 ' CE2' HG22 ' A' ' 72' ' ' ILE . 58.6 m-85 -134.42 146.83 61.0 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.84 14.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.559 1.821 . . . . 0.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -68.02 -13.98 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' ASP . 8.3 pttt 38.27 64.54 3.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.5 ' HD2' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.95 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -89.42 159.48 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.98 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.05 -38.32 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.02 -43.81 51.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -45.77 90.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 86' ' ' PHE . . . -67.45 -31.67 71.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.694 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -65.3 -50.9 63.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.578 ' N ' HD13 ' A' ' 83' ' ' LEU . 5.7 ttpt -71.61 -36.83 70.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -57.0 -42.59 80.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 82' ' ' ALA . 3.3 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.564 HG23 ' CG2' ' A' ' 63' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -159.05 129.39 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -116.48 112.87 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.599 ' CD1' HD12 ' A' ' 32' ' ' LEU . 24.4 mt -109.05 132.05 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -114.31 119.07 35.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 11.0 p90 -133.63 148.48 51.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -118.37 114.73 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.1 p -58.43 127.3 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.97 120.06 30.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.443 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.506 0.194 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' LYS . 6.2 tppt? -73.48 158.27 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.585 HG13 HD11 ' A' ' 42' ' ' ILE . 78.7 t -127.48 125.99 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.625 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 4.0 m-85 -111.9 102.63 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.46 ' C ' HD23 ' A' ' 6' ' ' LEU . 6.0 mtm180 -81.15 104.57 11.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 5' ' ' ARG . 8.4 mt -104.76 121.53 43.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.655 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -82.66 117.89 22.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 7' ' ' TYR . 4.2 mp -123.81 178.91 5.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -97.6 164.36 12.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.35 -37.57 87.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.35 -47.88 80.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -74.92 -43.62 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 47' ' ' ILE . 14.6 tp -59.03 -47.43 85.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -44.56 -47.56 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -42.76 96.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 21' ' ' LYS . 22.9 t -58.37 -45.96 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HG3' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -58.06 -41.6 83.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 p -59.08 -31.16 68.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.15 -20.72 30.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.22 -47.89 24.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.648 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -65.98 118.48 9.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -135.56 -45.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.92 112.77 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' OE2' ' CE1' ' A' ' 105' ' ' PHE . 1.5 pm0 -108.44 113.86 27.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.429 HG11 HG11 ' A' ' 63' ' ' VAL . 14.7 m -102.43 141.65 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -165.42 -60.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -174.75 150.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.93 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -89.18 53.98 2.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -45.27 158.13 0.32 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.85 21.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -1.63 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 29' ' ' TYR . 23.1 mt -118.27 -54.24 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.83 -36.03 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -51.63 -36.58 46.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.625 ' CD1' ' CD2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -41.22 156.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' C ' HG11 ' A' ' 51' ' ' VAL . 2.2 ptmt -167.16 172.14 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -58.85 132.48 54.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 1' ' ' MET . . . 109.82 -37.31 3.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.46 -175.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.692 ' CD ' HD11 ' A' ' 42' ' ' ILE . 5.8 ttmt -138.57 145.92 41.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.7 HG22 ' CE1' ' A' ' 43' ' ' PHE . 91.8 mt -124.28 126.22 71.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.692 HD11 ' CD ' ' A' ' 40' ' ' LYS . 1.6 mm -108.82 118.35 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.7 ' CE1' HG22 ' A' ' 41' ' ' ILE . 7.9 m-85 -94.62 122.2 36.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 m120 60.35 19.14 8.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.6 t0 49.04 67.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 tp -169.06 -49.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.536 HD12 HD11 ' A' ' 13' ' ' LEU . 6.5 mt -102.35 110.89 63.81 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.53 41.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.654 ' HB1' ' HD2' ' A' ' 105' ' ' PHE . . . -151.16 155.24 38.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -115.17 145.04 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.488 HG11 ' C ' ' A' ' 36' ' ' LYS . 98.4 t -81.37 115.18 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.57 -49.49 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.44 149.81 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.0 137.85 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.93 167.09 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HG3' HD12 ' A' ' 101' ' ' LEU . 16.0 tttt -129.97 155.24 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 56.8 m-85 -158.58 -175.15 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -124.53 166.7 15.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.2 p 46.05 -164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -108.51 -44.35 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -51.77 -39.88 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -53.11 61.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.474 ' CG2' ' CG1' ' A' ' 100' ' ' VAL . 42.0 t -67.04 -32.79 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.584 HD23 HD11 ' A' ' 69' ' ' ILE . 6.7 mp -74.62 -17.85 60.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -91.35 -41.59 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.2 -53.56 12.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -105.11 157.78 33.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.54 14.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.792 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.584 HD11 HD23 ' A' ' 64' ' ' LEU . 61.7 mt -105.78 -34.32 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.16 -31.11 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -79.29 -45.62 19.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.554 HG22 ' HD1' ' A' ' 73' ' ' PHE . 63.7 mt -64.62 -56.17 17.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.554 ' HD1' HG22 ' A' ' 72' ' ' ILE . 2.1 m-85 -120.01 126.07 27.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.79 14.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.13 -13.8 41.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 3.4 mtmt 51.95 63.89 8.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.457 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -177.78 3.71 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.6 m -105.97 155.18 19.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.9 -40.15 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.93 -48.82 22.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -43.91 83.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -55.23 -38.23 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -43.86 86.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -58.97 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.77 -48.47 4.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 3.3 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.474 ' CG1' ' CG2' ' A' ' 63' ' ' VAL . 21.7 t . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.93 HD13 ' HB2' ' A' ' 28' ' ' ALA . 2.8 tp -110.18 122.37 47.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.64 105.22 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.1 mt -94.56 123.7 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -103.13 113.59 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.654 ' HD2' ' HB1' ' A' ' 49' ' ' ALA . 7.6 p90 -127.6 156.76 41.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -126.46 113.85 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -55.55 135.54 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -97.67 98.08 9.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ttt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.54 0.209 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.7 tttt -92.73 165.21 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.413 HG13 ' CG1' ' A' ' 42' ' ' ILE . 64.5 t -122.61 130.2 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -119.38 111.99 18.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -88.97 102.41 15.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -102.14 119.51 38.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.574 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -82.39 117.59 22.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.2 mp -122.02 178.09 5.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.84 164.31 12.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.31 -35.16 79.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.8 -49.9 75.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -77.04 -46.92 22.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 47' ' ' ILE . 18.1 tp -53.73 -44.19 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -47.05 -33.26 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.479 ' CE ' ' CG ' ' A' ' 74' ' ' PRO . 8.0 mtt -70.65 -47.19 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.599 HG11 ' CD2' ' A' ' 43' ' ' PHE . 46.1 t -60.28 -47.4 92.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -45.4 71.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 p -59.9 -34.78 73.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.59 -19.39 33.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -49.53 -34.91 18.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -78.95 116.78 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -45.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.422 HD12 ' HB3' ' A' ' 71' ' ' LYS . 3.2 mp -98.21 121.09 48.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -102.07 110.78 22.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.8 104.69 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.499 ' C ' HG22 ' A' ' 27' ' ' VAL . 8.6 ttt180 -142.05 69.14 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.499 HG22 ' C ' ' A' ' 26' ' ' ARG . 30.9 m 46.16 -170.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.02 24.98 8.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -41.64 155.26 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.99 82.78 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.8 -55.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.685 ' O ' HG22 ' A' ' 35' ' ' ILE . 7.6 mt -98.39 -28.01 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -32.38 17.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -66.48 -31.78 72.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -40.16 154.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HA ' HG11 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -155.88 172.39 18.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.72 138.15 56.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.16 -21.82 32.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.095 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.531 ' HB2' HG21 ' A' ' 51' ' ' VAL . 15.8 m-20 -73.48 -179.58 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.548 ' HD3' HD11 ' A' ' 42' ' ' ILE . 6.6 tttp -135.01 148.21 49.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.7 mt -129.21 142.45 43.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.548 HD11 ' HD3' ' A' ' 40' ' ' LYS . 1.8 mm -120.62 106.72 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CD2' HG11 ' A' ' 16' ' ' VAL . 31.7 m-85 -81.15 123.98 28.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 6.2 m120 60.25 15.98 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.6 t0 50.65 62.44 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.8 tp -165.1 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.553 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.0 mt -106.95 110.87 63.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.36 42.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.443 1.759 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.19 150.78 31.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -116.83 143.8 45.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 39' ' ' ASP . 12.6 t -77.01 118.09 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -84.99 -47.28 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -170.17 146.78 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 36' ' ' LYS . 4.3 p -124.14 137.11 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -140.1 142.42 36.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -114.27 152.69 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 66' ' ' GLU . 45.2 m-85 -158.62 -170.92 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.5 pt-20 -131.85 138.88 48.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.764 ' N ' HG21 ' A' ' 100' ' ' VAL . 2.1 m 78.64 145.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.501 ' O ' HD23 ' A' ' 64' ' ' LEU . 51.8 p90 -67.22 -39.27 86.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -55.46 -40.71 71.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -57.74 -55.18 38.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.517 HG23 ' CG1' ' A' ' 100' ' ' VAL . 39.6 t -66.64 -32.51 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.941 HD12 HD11 ' A' ' 69' ' ' ILE . 2.3 mm? -67.26 -29.2 68.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -87.85 -39.16 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 57' ' ' TYR . 1.1 tm-20 -63.54 -54.13 40.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -107.04 157.45 35.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.08 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 172.97 15.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.811 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.941 HD11 HD12 ' A' ' 64' ' ' LEU . 5.2 mt -104.8 -26.15 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -30.7 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -81.95 -59.75 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.522 HG22 ' CD2' ' A' ' 73' ' ' PHE . 82.3 mt -40.9 -47.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.522 ' CD2' HG22 ' A' ' 72' ' ' ILE . 57.9 m-85 -135.23 147.62 63.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.479 ' CG ' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.97 -30.44 7.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 76' ' ' LYS . 2.2 m-20 -61.17 -14.98 28.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 32.85 63.45 1.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 -170.56 0.8 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.508 1.794 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.8 m -99.58 156.94 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.13 -38.45 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.48 -38.35 62.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -46.7 67.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 -35.59 73.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -34.58 78.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -72.54 -45.62 58.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -40.79 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.764 HG21 ' N ' ' A' ' 59' ' ' THR . 92.1 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -134.51 134.0 40.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.49 105.9 13.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.4 mt -95.66 131.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -117.81 114.64 23.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 2.7 p90 -129.76 157.48 42.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.43 113.3 19.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 107' ' ' VAL . 10.0 p -59.89 114.39 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.38 112.11 6.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ttt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.495 0.188 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -93.34 160.18 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.467 HG13 ' CG1' ' A' ' 42' ' ' ILE . 76.0 t -120.17 134.83 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.464 ' HB3' HD21 ' A' ' 6' ' ' LEU . 9.6 m-85 -123.32 109.7 14.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.576 ' C ' HD23 ' A' ' 6' ' ' LEU . 7.2 mtt180 -83.48 99.57 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 5' ' ' ARG . 4.2 mt -99.79 119.27 37.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.449 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.7 m-85 -82.73 118.94 23.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.509 HD22 ' CD1' ' A' ' 43' ' ' PHE . 1.2 mp -121.6 166.53 14.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.96 156.28 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -27.5 68.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.94 -50.81 53.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -77.61 -43.58 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.802 HD22 ' ND2' ' A' ' 44' ' ' ASN . 12.5 tp -53.23 -45.54 68.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -45.7 59.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -35.61 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.444 HG11 ' CD2' ' A' ' 43' ' ' PHE . 61.9 t -73.29 -45.99 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -33.96 60.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 p -75.28 -32.8 61.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 110.042 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.9 19.74 12.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -76.34 -34.56 58.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.05 148.41 34.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.55 -44.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 36.5 mt -111.62 123.04 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -105.39 124.87 50.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 101' ' ' LEU . 1.5 p -132.52 118.89 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.48 57.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.885 HG11 ' CE1' ' A' ' 29' ' ' TYR . 8.4 t 67.05 160.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.595 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -104.28 32.97 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.885 ' CE1' HG11 ' A' ' 27' ' ' VAL . 22.4 m-85 -48.26 154.57 1.06 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.01 2.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -168.92 -46.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.594 ' O ' HG22 ' A' ' 35' ' ' ILE . 7.2 mt -110.97 -29.08 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HE3' ' CA ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -48.63 -35.74 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CA ' ' HE3' ' A' ' 33' ' ' LYS . 6.7 t0 -57.17 -35.55 69.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -40.79 155.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -162.82 169.25 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -59.34 135.12 57.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.71 -18.47 34.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.42 -176.09 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.478 ' CD ' HD11 ' A' ' 42' ' ' ILE . 4.2 tttt -137.18 141.74 42.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.561 HG23 ' HG ' ' A' ' 6' ' ' LEU . 9.7 mt -126.99 131.58 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.478 HD11 ' CD ' ' A' ' 40' ' ' LYS . 2.8 mm -112.41 122.77 67.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' CD1' HD22 ' A' ' 8' ' ' LEU . 28.8 m-85 -93.73 129.09 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.802 ' ND2' HD22 ' A' ' 13' ' ' LEU . 3.9 m120 57.45 18.34 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t0 48.26 64.34 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -167.66 -43.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.46 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.6 mp -104.92 110.74 64.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 154.29 42.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.13 146.5 26.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -109.73 144.48 38.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.503 HG22 ' CD1' ' A' ' 41' ' ' ILE . 46.3 t -77.56 120.47 28.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 106' ' ' ARG . 16.0 t -86.94 -50.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -172.46 143.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.724 HG22 HG12 ' A' ' 103' ' ' ILE . 15.8 t -108.73 142.93 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.96 134.18 36.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HE3' ' CB ' ' A' ' 28' ' ' ALA . 22.2 tttt -129.0 141.9 51.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.479 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 47.9 m-85 -133.4 175.59 9.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 59' ' ' THR . 8.8 pt-20 -84.47 -46.12 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.615 HG23 ' HG3' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -122.89 147.78 46.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.386 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.487 ' N ' HG21 ' A' ' 100' ' ' VAL . 6.9 p90 -65.02 -32.88 74.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.615 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -50.9 -36.86 40.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.427 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -75.07 -39.87 60.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.831 HG21 HG13 ' A' ' 100' ' ' VAL . 74.1 t -51.66 -32.21 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mp -81.89 -25.51 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' GLN . 3.6 mmt85 -71.92 -47.67 50.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' CG ' ' OH ' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -82.2 -57.62 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -84.08 146.94 49.66 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.99 173.64 14.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.556 1.819 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 33.2 mt -105.43 -36.07 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.41 -43.2 79.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -65.8 -49.8 66.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.3 mt -57.48 -52.38 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -129.74 131.06 23.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.71 13.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.74 -18.07 19.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 55.6 mttt 50.92 64.36 8.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -172.79 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.2 m -106.26 152.01 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.76 -40.19 13.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -38.98 61.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -66.67 -52.22 47.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.84 -36.03 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 84' ' ' LYS . 0.4 OUTLIER -61.17 -45.52 94.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.572 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -72.49 -48.28 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -49.07 40.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.831 HG13 HG21 ' A' ' 63' ' ' VAL . 46.9 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.595 HD23 ' HB2' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -159.44 143.58 15.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.462 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -138.17 111.01 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.724 HG12 HG22 ' A' ' 54' ' ' VAL . 54.0 mt -109.37 133.2 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -110.32 114.69 28.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 9.8 p90 -124.24 154.64 39.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.475 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -122.65 111.42 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.248 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.78 125.53 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.99 117.53 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.509 0.195 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.5 155.82 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.69 HG13 HG12 ' A' ' 42' ' ' ILE . 74.0 t -120.19 124.25 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.585 ' CE2' HD12 ' A' ' 35' ' ' ILE . 4.3 m-85 -110.98 108.9 18.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -83.24 99.16 9.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -103.5 121.73 43.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.634 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -83.49 118.72 23.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.1 mp -123.28 171.47 9.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.94 156.99 16.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -32.32 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.69 -53.07 60.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -75.03 -44.82 45.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.624 HD11 HD12 ' A' ' 47' ' ' ILE . 11.5 tp -54.67 -42.16 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.17 -41.46 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . 0.402 ' SD ' ' CG ' ' A' ' 74' ' ' PRO . 4.0 mtt -60.68 -49.34 77.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 21' ' ' LYS . 58.0 t -57.48 -51.39 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HG2' HD13 ' A' ' 47' ' ' ILE . 2.2 mmtt -51.43 -40.08 58.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.5 p -69.95 -28.15 65.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.21 -26.71 22.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -42.42 -36.19 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HB3' HG22 ' A' ' 16' ' ' VAL . 1.3 tptt -75.29 110.2 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -45.67 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.1 mt -101.19 122.36 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -101.54 114.51 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -104.87 125.24 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -167.57 75.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.806 HG23 ' N ' ' A' ' 28' ' ' ALA . 1.4 m 36.96 -153.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.806 ' N ' HG23 ' A' ' 27' ' ' VAL . . . -143.2 53.02 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.494 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -80.41 173.83 7.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.03 164.04 34.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.11 -0.97 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -140.88 -56.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -29.62 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.27 -32.13 73.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.585 HD12 ' CE2' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -40.25 153.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.481 ' O ' HG11 ' A' ' 51' ' ' VAL . 3.5 ptmt -161.37 -179.19 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -73.18 141.73 47.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.78 -11.89 56.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -95.53 174.56 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.423 ' HG2' HD11 ' A' ' 42' ' ' ILE . 4.5 ttpt -125.0 140.89 52.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.673 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.0 mt -118.88 124.82 73.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.69 HG12 HG13 ' A' ' 3' ' ' VAL . 12.4 mm -104.13 126.82 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -105.9 124.91 50.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m120 59.77 19.66 8.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.522 ' HA ' HG22 ' A' ' 42' ' ' ILE . 61.5 t0 44.82 67.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -167.41 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 HD11 ' A' ' 13' ' ' LEU . 5.6 mt -103.78 110.52 64.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.83 41.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.16 150.16 30.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -112.95 139.94 48.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.673 HG22 ' CD1' ' A' ' 41' ' ' ILE . 13.9 t -73.86 121.11 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 14.5 t -86.93 -47.8 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -174.47 147.37 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.9 t -125.92 132.54 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 140.32 41.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -109.24 149.31 29.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' O ' HG13 ' A' ' 100' ' ' VAL . 87.8 m-85 -143.84 176.45 9.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -104.92 136.08 45.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.6 m 63.5 130.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 35.3 p90 -60.56 -42.1 95.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.644 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -53.39 -46.73 69.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.95 -43.78 77.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 57' ' ' TYR . 4.3 t -56.81 -29.11 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.74 -24.44 49.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -80.68 -42.73 21.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.49 -58.38 3.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -84.65 153.84 61.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.44 14.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.433 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 33.7 mt -110.1 -34.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -51.56 -48.59 63.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -64.48 -56.56 13.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.5 mt -48.59 -52.63 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -132.3 125.08 19.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.402 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.96 -20.82 16.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.34 -23.5 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 6.1 mtmt 62.32 64.21 1.8 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 m -100.6 153.22 19.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -46.78 -41.44 15.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.04 -46.19 36.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -57.24 -50.67 72.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -56.45 -37.16 69.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -41.19 95.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -71.52 -53.81 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.84 -47.65 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 4.1 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 57' ' ' TYR . 7.0 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.557 HD12 ' CB ' ' A' ' 28' ' ' ALA . 1.2 tt -125.2 133.37 52.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.45 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -112.72 106.36 14.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.462 HG13 HD22 ' A' ' 101' ' ' LEU . 38.0 mt -97.7 132.73 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.71 114.09 25.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -126.62 153.25 45.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.472 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 1.1 ttt180 -123.61 111.69 16.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.92 126.85 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.6 132.98 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.528 0.204 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -77.16 157.48 30.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.66 141.79 28.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -133.7 119.61 19.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 mtm-85 -91.92 109.49 20.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 mt -106.76 121.57 44.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.836 ' C ' HD12 ' A' ' 8' ' ' LEU . 5.9 m-85 -81.87 117.49 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.836 HD12 ' C ' ' A' ' 7' ' ' TYR . 7.3 mp -126.97 162.45 25.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -93.02 151.47 19.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -29.19 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.63 -53.14 56.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.5 m-85 -77.92 -41.22 37.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 44' ' ' ASN . 4.3 tp -57.13 -42.13 80.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -46.52 -49.17 18.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -45.42 82.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -58.58 -40.93 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -51.04 67.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -59.74 -21.57 60.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 21' ' ' LYS . . . 96.77 -22.54 39.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -42.79 -29.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -86.54 117.17 25.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.29 -45.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' A' ' 67' ' ' GLU . 8.5 mt -103.84 121.81 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -101.05 111.1 23.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 72' ' ' ILE . 57.8 t -101.85 136.05 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.72 146.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.1 t -40.07 128.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -70.29 61.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -77.82 159.56 76.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.96 80.57 2.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -161.27 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -137.72 13.29 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -85.89 -24.27 26.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -79.16 -24.81 43.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.66 HD13 HD11 ' A' ' 41' ' ' ILE . 5.4 tt -43.03 159.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -158.68 173.94 15.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 9.2 ttt180 -57.8 140.59 51.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.02 -21.17 32.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.64 178.6 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HG2' HD11 ' A' ' 42' ' ' ILE . 18.8 ttpt -134.17 148.97 51.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.66 HD11 HD13 ' A' ' 35' ' ' ILE . 52.5 mt -131.45 129.79 62.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.46 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.3 mm -106.76 113.68 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -88.44 125.22 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.566 ' HB2' HD13 ' A' ' 13' ' ' LEU . 2.2 m120 63.25 16.13 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.68 64.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.16 -42.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.524 HD12 HD11 ' A' ' 13' ' ' LEU . 10.2 mt -110.2 110.61 58.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.45 41.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.13 145.33 25.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.447 ' HB2' HD21 ' A' ' 108' ' ' LEU . 9.4 tt0 -108.32 138.37 44.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.7 t -75.79 121.98 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.8 t -86.21 -48.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.08 143.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -128.7 132.25 67.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -143.23 151.67 40.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -107.11 151.22 25.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.675 ' CD2' HG22 ' A' ' 63' ' ' VAL . 53.8 m-85 -130.01 -170.66 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.731 ' O ' HG21 ' A' ' 100' ' ' VAL . 3.3 mm-40 -88.31 -109.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 p -85.09 150.0 25.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -43.63 -41.21 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -41.02 60.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.88 -42.8 89.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' A' ' 57' ' ' TYR . 40.9 t -60.98 -43.56 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.685 ' HG ' HD11 ' A' ' 69' ' ' ILE . 8.5 mp -64.1 -22.81 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -83.54 -44.29 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -67.59 -57.17 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.284 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' OE2' ' CG1' ' A' ' 63' ' ' VAL . 5.5 pt-20 -106.16 152.86 40.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.02 15.23 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.685 HD11 ' HG ' ' A' ' 64' ' ' LEU . 9.1 mt -106.25 -32.53 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.502 ' OD2' ' CE ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -49.78 -32.85 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -77.32 -50.82 12.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.467 HD13 HG21 ' A' ' 25' ' ' VAL . 62.5 mt -57.51 -40.14 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 72' ' ' ILE . 29.6 m-85 -145.94 127.9 7.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.82 17.41 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -23.9 57.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.502 ' CE ' ' OD2' ' A' ' 70' ' ' ASP . 6.6 mttp 56.51 69.38 1.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.03 -169.85 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 m -110.7 150.76 28.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -41.83 16.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -37.51 63.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.66 -48.54 76.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.39 -34.06 60.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -46.51 63.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.23 -56.57 12.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.52 -41.9 10.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.731 HG21 ' O ' ' A' ' 58' ' ' GLU . 1.9 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.705 HD12 HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -159.59 129.49 5.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.431 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -110.22 104.78 13.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.705 HG13 HD12 ' A' ' 101' ' ' LEU . 8.8 mt -99.85 119.29 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -107.96 109.46 20.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 3.1 p90 -125.63 155.8 40.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -125.75 128.36 47.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.6 122.15 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 50' ' ' GLU . 2.6 mt -74.14 112.57 10.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.495 0.188 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -105.72 158.96 16.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.572 HG13 ' CG1' ' A' ' 42' ' ' ILE . 77.5 t -119.02 128.41 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 35' ' ' ILE . 6.1 m-85 -118.06 102.4 9.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -78.33 104.18 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.83 122.25 46.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -85.31 116.94 23.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.461 HD22 ' HD1' ' A' ' 43' ' ' PHE . 1.1 mp -119.63 174.71 6.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.92 150.19 21.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.81 -32.45 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.07 -54.6 35.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.3 m-30 -72.66 -45.25 59.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.664 HD22 ' ND2' ' A' ' 44' ' ' ASN . 13.1 tp -52.9 -43.0 65.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -46.38 -48.52 18.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -56.98 -41.58 78.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.697 HG22 ' HB3' ' A' ' 21' ' ' LYS . 92.2 t -64.15 -37.28 79.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG2' HD13 ' A' ' 47' ' ' ILE . 3.2 mmtt -64.83 -40.68 95.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -34.9 74.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.28 -12.8 26.13 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.83 -33.67 50.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.697 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -84.4 109.74 18.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.73 -43.41 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.85 118.48 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -100.94 111.24 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -98.25 129.53 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -173.93 147.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.477 HG12 ' HA3' ' A' ' 99' ' ' GLY . 6.5 m -40.56 121.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.39 -84.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER 56.49 160.21 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.95 164.95 32.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 83.77 -9.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.3 mt -138.7 -59.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -48.57 -29.64 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -34.69 72.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -40.34 154.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.27 173.89 15.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -66.78 140.68 57.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.2 -24.7 30.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -72.1 -175.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.741 ' HG2' HD11 ' A' ' 42' ' ' ILE . 12.4 ttpt -137.47 144.48 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.486 ' C ' HD13 ' A' ' 42' ' ' ILE . 94.4 mt -124.7 125.99 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.7 mm -104.12 111.38 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' HD1' HD22 ' A' ' 8' ' ' LEU . 67.3 m-85 -88.06 126.59 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.664 ' ND2' HD22 ' A' ' 13' ' ' LEU . 4.8 m120 60.6 15.77 5.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 49.13 62.65 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.96 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.422 HD13 ' HG2' ' A' ' 17' ' ' LYS . 4.4 mt -109.07 110.7 60.69 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.03 41.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.08 146.48 26.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -109.05 137.93 46.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.5 t -72.21 116.53 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 106' ' ' ARG . 13.7 t -78.82 -51.18 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -165.11 146.09 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -118.45 129.98 73.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 139.02 34.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HA ' HD22 ' A' ' 101' ' ' LEU . 7.1 tttp -110.99 146.53 36.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HB3' ' CG ' ' A' ' 62' ' ' GLN . 16.3 m-85 -154.55 -170.88 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 6.8 pt-20 -136.06 147.48 47.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.766 ' N ' HG21 ' A' ' 100' ' ' VAL . 3.6 m 69.14 124.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 18.8 p90 -48.83 -35.03 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.521 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -56.52 -35.58 68.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.472 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 6.6 tp-100 -62.0 -55.43 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.676 HG23 ' CG1' ' A' ' 100' ' ' VAL . 9.1 t -61.24 -32.53 53.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.492 HD22 ' HD1' ' A' ' 60' ' ' PHE . 5.7 mp -74.7 -24.96 58.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.33 -45.24 20.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -51.59 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -98.85 147.37 33.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.3 14.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 3.4 mt -101.21 -34.29 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.14 -29.75 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -86.19 -60.03 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 89.9 mt -47.16 -39.93 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.54 141.05 37.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -42.51 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.69 -17.02 19.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 pttt 43.4 65.79 5.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.799 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -95.09 153.09 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -47.1 -40.42 15.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -38.15 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -37.09 81.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.06 86.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -62.75 -45.52 92.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -69.6 -47.76 62.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -48.23 -45.7 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.47 -25.52 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -106.18 32.12 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -122.27 -49.65 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.78 124.03 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 54.96 87.96 0.13 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.58 -59.44 1.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -79.38 71.61 5.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 141.85 28.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.08 165.72 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 96' ' ' TYR . 6.2 p90 -56.76 132.37 51.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 161.67 18.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.502 ' CG ' ' N ' ' A' ' 99' ' ' GLY . 71.7 t80 -165.35 172.28 12.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.502 ' N ' ' CG ' ' A' ' 98' ' ' TYR . . . 71.74 112.6 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 111.06 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.766 HG21 ' N ' ' A' ' 59' ' ' THR . 90.4 t -137.67 85.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.643 HD12 HG13 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -121.69 126.16 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.626 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -101.67 104.89 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.643 HG13 HD12 ' A' ' 101' ' ' LEU . 7.0 mt -96.94 118.51 43.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.73 113.11 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 1.9 p90 -126.42 153.08 45.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.628 ' HB2' HG22 ' A' ' 52' ' ' VAL . 1.8 ttp180 -121.25 109.61 15.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.4 p -53.1 135.17 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.72 130.51 38.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 138.86 -84.62 0.23 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -44.4 162.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.59 132.53 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.69 -174.19 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.401 ' CE ' ' HE2' ' A' ' 40' ' ' LYS . 15.4 ttt . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.486 0.184 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -71.7 159.91 33.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.574 HG13 HD11 ' A' ' 42' ' ' ILE . 53.8 t -118.63 129.9 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.48 ' CG ' HD12 ' A' ' 35' ' ' ILE . 17.8 m-85 -118.73 113.69 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -89.55 107.03 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.527 ' HG ' HG23 ' A' ' 41' ' ' ILE . 13.4 mt -105.34 125.76 51.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.522 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.5 m-85 -84.0 117.59 23.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 7' ' ' TYR . 1.7 mp -121.68 171.5 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 4.0 mttm -99.17 145.24 27.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -27.65 1.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.44 -48.95 65.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -80.75 -39.39 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.439 HD11 HD12 ' A' ' 47' ' ' ILE . 13.8 tp -58.86 -40.82 85.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.47 -45.29 36.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mtt -60.68 -40.24 91.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.637 HG22 ' HB3' ' A' ' 21' ' ' LYS . 68.7 t -67.22 -41.54 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -59.99 -39.9 87.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.6 p -63.0 -30.15 71.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.35 -13.48 54.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -59.75 -52.27 66.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.637 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -55.8 99.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.48 -47.88 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 25' ' ' VAL . 3.7 mp -96.5 129.39 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -113.95 111.02 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 25' ' ' VAL . 8.8 m -121.37 103.06 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -145.57 59.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 t 62.18 141.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -63.36 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.16 153.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -74.99 165.33 31.55 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 80.98 -5.43 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.691 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -140.45 -59.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -36.97 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -34.92 66.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.691 HG22 ' O ' ' A' ' 32' ' ' LEU . 1.1 tt -41.19 156.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.08 171.09 21.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 144.96 52.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.51 -18.92 49.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.1 m-20 -86.47 177.91 7.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -132.82 144.2 50.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.527 HG23 ' HG ' ' A' ' 6' ' ' LEU . 19.4 mt -124.71 131.8 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.574 HD11 HG13 ' A' ' 3' ' ' VAL . 1.1 mm -106.59 116.73 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.616 ' CD2' HG11 ' A' ' 16' ' ' VAL . 50.7 m-85 -86.61 119.84 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 65.08 13.32 8.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 64.2 t0 54.73 59.69 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.32 -45.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.439 HD12 HD11 ' A' ' 13' ' ' LEU . 6.1 mt -104.29 110.67 64.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.45 42.59 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.12 145.13 25.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -109.78 139.14 45.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 39' ' ' ASP . 11.8 t -72.3 127.23 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.33 -45.53 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.97 151.02 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG23 HG12 ' A' ' 103' ' ' ILE . 11.6 p -116.38 136.21 54.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.732 ' O ' HD13 ' A' ' 101' ' ' LEU . 13.7 mttp -129.47 138.35 51.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HG3' HD22 ' A' ' 101' ' ' LEU . 26.0 tttt -126.59 141.41 51.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.663 ' HB2' HG12 ' A' ' 100' ' ' VAL . 32.1 m-85 -154.28 166.46 33.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' HG21 ' A' ' 100' ' ' VAL . 2.9 mt-10 -97.91 -60.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.739 ' O ' HG11 ' A' ' 100' ' ' VAL . 16.5 m -68.3 159.71 30.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.614 ' CE1' ' CD2' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -92.37 -48.71 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.948 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -52.38 -35.94 52.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -57.13 -47.57 80.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.802 HG21 HG13 ' A' ' 100' ' ' VAL . 13.2 t -56.0 -36.09 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.23 -24.12 51.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -44.15 42.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.1 -54.44 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.64 152.4 44.97 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.96 9.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.764 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 56.3 mt -113.73 -35.48 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -57.78 -41.11 81.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -68.84 -51.19 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.551 HG22 ' CD2' ' A' ' 73' ' ' PHE . 50.7 mt -51.32 -50.24 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG22 ' A' ' 72' ' ' ILE . 39.7 m-85 -141.05 133.71 14.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -19.95 17.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.85 -23.23 63.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.41 65.46 2.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.05 167.9 25.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.4 m -93.99 154.56 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.79 -39.83 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.84 -45.62 42.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -49.4 72.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.83 65.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.496 ' O ' ' CG ' ' A' ' 87' ' ' HIS . 1.2 tp -57.2 -51.5 69.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -55.86 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.8 -44.6 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.614 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 3.7 m-85 -72.36 -58.46 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 5.1 m-70 -45.04 -51.21 10.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.594 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.84 110.15 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -174.66 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 89' ' ' MET . 31.9 m-85 -118.26 161.99 32.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -69.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.41 157.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 66.48 110.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 107.979 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -54.82 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -156.66 109.31 2.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -171.88 168.12 6.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -62.75 150.55 41.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.351 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -159.42 -49.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 100' ' ' VAL . . . -120.51 128.22 7.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.802 HG13 HG21 ' A' ' 63' ' ' VAL . 79.6 t -153.94 73.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -123.87 116.72 23.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.52 ' HA ' HG12 ' A' ' 25' ' ' VAL . . . -97.96 120.94 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.598 HD13 HG21 ' A' ' 35' ' ' ILE . 5.8 mt -118.19 119.85 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -98.71 117.87 34.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.544 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 3.0 p90 -132.06 148.45 52.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -118.43 122.76 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 p -65.06 134.4 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.47 157.1 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.28 -106.14 2.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.08 153.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -50.9 162.27 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -178.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ttt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.465 0.174 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -90.99 154.59 19.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.456 HG13 ' CG1' ' A' ' 42' ' ' ILE . 40.4 t -112.77 134.29 55.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.457 ' CD2' HD12 ' A' ' 35' ' ' ILE . 12.9 m-85 -126.84 113.2 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -87.34 106.54 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.44 124.22 49.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.63 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -84.02 117.16 23.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.9 mp -122.34 165.64 15.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -89.01 146.22 25.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.25 -36.51 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.3 -52.94 63.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.551 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.5 m-30 -73.6 -45.68 51.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.693 HD11 ' CD1' ' A' ' 47' ' ' ILE . 10.1 tp -53.29 -42.88 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -44.84 -46.96 11.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.423 ' HE2' ' HG2' ' A' ' 74' ' ' PRO . 2.2 mtt -59.86 -43.31 94.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 21' ' ' LYS . 64.4 t -60.46 -39.93 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.1 -48.86 76.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 p -59.15 -35.45 73.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.96 -11.69 27.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -58.49 -32.06 68.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.723 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -84.33 111.42 19.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -129.47 -45.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.426 HD13 ' HD2' ' A' ' 68' ' ' PRO . 2.7 mp -113.55 120.45 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 5.3 pt-20 -114.63 117.22 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.834 HG12 ' HA ' ' A' ' 102' ' ' ALA . 2.2 m -121.45 141.38 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -164.56 -70.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.25 174.09 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -126.72 28.62 5.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.8 160.59 0.39 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 80.31 2.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.15 -55.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.618 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -105.79 -21.97 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -56.42 -25.53 50.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -28.57 61.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -43.7 161.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -166.7 171.52 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -62.31 141.58 58.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.39 -25.18 24.04 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -82.2 179.84 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 5.2 ttpt -134.08 148.65 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.442 ' O ' HD13 ' A' ' 42' ' ' ILE . 31.9 mt -122.21 148.98 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 45' ' ' ASP . 3.1 mm -124.02 115.3 44.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CD2' HG11 ' A' ' 16' ' ' VAL . 60.7 m-85 -91.37 124.71 35.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.3 m120 60.58 15.58 5.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.473 ' HA ' HG22 ' A' ' 42' ' ' ILE . 0.4 OUTLIER 49.63 58.95 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tp -161.01 -44.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.693 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.8 mt -104.81 110.72 64.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.99 41.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.57 147.28 27.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HB2' HD21 ' A' ' 108' ' ' LEU . 12.5 tt0 -110.87 143.99 40.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.6 t -75.17 129.41 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.527 HG21 ' HD2' ' A' ' 106' ' ' ARG . 6.4 t -99.81 -47.08 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 54' ' ' VAL . 3.2 tm-20 -160.08 164.78 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.138 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 49.6 t -150.54 132.35 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.52 156.71 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -122.34 140.96 52.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.771 ' HB2' HG12 ' A' ' 100' ' ' VAL . 63.7 m-85 -143.29 160.32 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -106.48 -16.32 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -117.05 124.92 50.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -57.23 -49.94 74.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -39.74 53.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -56.98 -38.05 72.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.411 ' CG2' HG13 ' A' ' 100' ' ' VAL . 89.1 t -63.64 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.652 HD23 HD11 ' A' ' 69' ' ' ILE . 11.0 mp -80.94 -24.63 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -74.66 -47.45 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.14 -55.69 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -91.54 153.18 44.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.652 HD11 HD23 ' A' ' 64' ' ' LEU . 27.6 mt -108.91 -32.87 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.53 -25.75 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -86.85 -52.81 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.4 mt -55.14 -42.44 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -140.78 122.47 9.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HG2' ' HE2' ' A' ' 15' ' ' MET . 18.3 Cg_endo -75.0 -20.65 16.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.08 -19.83 61.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 8.0 mtmt 62.9 64.4 1.54 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.02 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.8 m -100.86 153.66 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.9 -40.58 14.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -44.22 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -60.87 -49.26 78.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.63 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -49.38 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -52.34 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -44.09 -45.84 8.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -83.69 48.98 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -167.59 -54.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.582 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -51.16 -40.72 59.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -61.28 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -135.97 147.69 61.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.23 13.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.85 73.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.05 83.43 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.57 -55.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 63.02 82.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -170.83 176.58 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -59.42 111.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.2 156.79 12.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 39.91 -140.06 0.95 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.771 HG12 ' HB2' ' A' ' 57' ' ' TYR . 67.2 t 61.08 56.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 0.785 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.601 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -113.56 117.39 31.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.834 ' HA ' HG12 ' A' ' 25' ' ' VAL . . . -99.37 105.68 17.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.601 HG13 HD12 ' A' ' 101' ' ' LEU . 17.7 mt -102.05 123.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -102.64 128.86 49.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.3 p90 -143.15 152.03 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.527 ' HD2' HG21 ' A' ' 52' ' ' VAL . 4.1 mtt85 -123.51 126.67 47.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.65 126.48 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' A' ' 50' ' ' GLU . 1.9 mt -81.04 98.32 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 167.63 -84.62 0.1 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.88 164.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.46 152.39 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.83 178.53 4.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.544 0.212 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' LYS . 2.1 tttp -80.03 162.65 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.533 HG13 ' CG1' ' A' ' 42' ' ' ILE . 72.9 t -124.52 122.68 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.678 ' CG ' HD12 ' A' ' 35' ' ' ILE . 35.9 m-85 -110.53 122.24 47.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 mtm-85 -94.4 101.33 13.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.487 ' HG ' HG23 ' A' ' 41' ' ' ILE . 7.6 mt -96.25 120.19 36.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.748 ' C ' HD12 ' A' ' 8' ' ' LEU . 9.4 m-85 -80.52 116.85 20.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.748 HD12 ' C ' ' A' ' 7' ' ' TYR . 8.6 mp -126.72 167.26 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.44 159.89 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.68 -36.05 71.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.59 -53.92 52.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.6 m-85 -73.87 -44.41 55.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.621 HD11 HD12 ' A' ' 47' ' ' ILE . 14.7 tp -52.8 -43.58 66.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.84 -47.89 11.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.7 mtt -58.32 -42.49 86.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.31 -37.67 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -70.17 -40.43 74.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.6 p -59.17 -24.41 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.056 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.4 -13.5 65.54 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -59.41 -47.57 84.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -63.78 126.9 29.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -45.88 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.536 HD13 ' HD2' ' A' ' 68' ' ' PRO . 5.9 mt -114.13 124.85 71.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -119.81 112.26 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.546 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 26.2 m -84.07 111.47 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.59 -170.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.571 HG13 ' HA3' ' A' ' 99' ' ' GLY . 11.8 t -104.32 22.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 29' ' ' TYR . . . 54.45 -107.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER 52.44 172.2 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 87.73 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.29 -64.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.526 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -139.88 15.98 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -70.27 -26.48 63.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -74.04 -25.53 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.678 HD12 ' CG ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -41.59 152.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.62 178.94 9.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -68.47 142.99 55.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.42 -15.61 55.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.117 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.19 -162.99 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.704 ' HG2' HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -148.83 145.56 27.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.531 ' C ' HD13 ' A' ' 42' ' ' ILE . 76.5 mt -125.32 127.9 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.704 HD11 ' HG2' ' A' ' 40' ' ' LYS . 3.4 mm -106.93 106.81 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -79.48 121.94 25.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.59 13.9 6.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.458 ' HA ' HG22 ' A' ' 42' ' ' ILE . 37.6 t0 55.28 52.3 11.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.56 -46.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 13' ' ' LEU . 7.2 mt -103.14 110.82 64.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.22 42.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.18 146.48 26.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HB3' HD21 ' A' ' 108' ' ' LEU . 8.1 tt0 -107.02 139.65 41.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.27 120.65 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.12 -46.54 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -172.53 145.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.599 HG22 HG12 ' A' ' 103' ' ' ILE . 41.4 t -125.57 142.18 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.648 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -140.88 142.57 34.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -114.55 157.4 23.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.648 ' HB2' HG12 ' A' ' 100' ' ' VAL . 42.9 m-85 -156.49 172.43 18.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.04 -53.35 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.3 m -81.03 136.24 35.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 37.7 p90 -74.19 -35.29 63.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -62.43 -40.04 95.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -41.36 80.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.845 HG21 HG13 ' A' ' 100' ' ' VAL . 76.5 t -59.11 -29.2 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 69' ' ' ILE . 6.9 mp -77.38 -24.28 50.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.77 -45.44 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.35 -59.36 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' OE2' HG21 ' A' ' 23' ' ' ILE . 6.1 mm-40 -89.53 150.91 45.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.98 176.59 9.71 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.6 HD11 HD23 ' A' ' 64' ' ' LEU . 64.5 mt -111.94 -34.88 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.18 -41.0 78.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -69.86 -52.13 27.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.02 -50.54 69.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.1 126.37 24.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.33 15.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.49 -16.16 62.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt 52.75 66.88 4.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 -179.92 5.47 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 m -100.49 154.02 18.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.86 -40.52 14.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -43.77 53.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -62.28 -41.16 98.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.45 -39.14 75.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.769 HD13 ' N ' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -59.43 -50.9 72.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.769 ' N ' HD13 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -67.69 -48.26 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -49.03 61.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 25' ' ' VAL . 4.2 m-85 -75.3 56.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.435 ' CG ' ' O ' ' A' ' 86' ' ' PHE . 1.1 m-70 176.84 -56.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.579 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -65.21 88.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.0 ptm 179.94 121.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 51.78 87.5 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.18 27.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -170.44 68.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 54.02 78.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 108.034 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 mttp 60.73 115.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -65.24 146.03 55.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -137.53 -160.11 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 63.86 165.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.475 ' CG ' ' N ' ' A' ' 99' ' ' GLY . 41.3 p90 -115.37 -47.24 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.571 ' HA3' HG13 ' A' ' 27' ' ' VAL . . . 50.08 97.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.845 HG13 HG21 ' A' ' 63' ' ' VAL . 83.7 t -145.58 96.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 55' ' ' LYS . 1.2 tt -147.71 131.49 17.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.414 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -107.24 113.0 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.599 HG12 HG22 ' A' ' 54' ' ' VAL . 24.4 mt -113.43 127.92 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -112.6 112.8 24.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 8.1 p90 -122.78 150.66 42.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.82 109.14 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.65 126.12 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 50' ' ' GLU . 5.0 mt -91.92 106.37 18.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.73 -89.02 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -48.41 159.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 0.735 . . . . 0.0 110.262 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.49 155.06 41.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 176.18 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tmm? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.525 0.202 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 163.42 28.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.587 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 75.8 t -130.08 137.23 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -120.12 122.98 42.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 mtm-85 -91.89 105.31 17.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -102.15 117.76 35.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.698 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -80.64 117.62 21.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 7' ' ' TYR . 6.2 mp -123.16 175.44 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 20.9 mmtm -96.09 156.0 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -26.94 66.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.93 -46.8 67.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -80.33 -43.3 21.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.655 HD13 ' OD1' ' A' ' 44' ' ' ASN . 10.2 tp -57.18 -41.0 78.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -49.23 -47.21 46.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -39.83 79.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' ' 21' ' ' LYS . 98.7 t -66.12 -37.12 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -45.94 90.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.5 p -59.79 -25.98 65.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.39 -0.97 63.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -67.86 -32.72 73.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.631 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -80.14 106.62 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.96 -38.33 4.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.433 HD13 ' HD2' ' A' ' 68' ' ' PRO . 5.1 mt -111.95 125.4 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -100.94 111.09 23.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.89 HG21 HD13 ' A' ' 72' ' ' ILE . 3.3 t -94.37 112.55 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.47 139.44 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 27' ' ' VAL . 23.2 m -45.15 109.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.981 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -42.13 -82.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER 57.66 160.48 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 83.68 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.96 -62.04 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.241 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -135.96 12.82 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -71.71 -33.4 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.66 -25.64 60.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 32' ' ' LEU . 10.9 tt -42.68 163.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -170.84 169.06 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -49.86 142.63 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.65 -30.51 9.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -74.73 -176.6 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.781 ' HD3' HD11 ' A' ' 42' ' ' ILE . 6.3 tttt -139.43 140.71 37.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.62 ' CD1' HG22 ' A' ' 51' ' ' VAL . 6.4 mt -119.48 142.84 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.781 HD11 ' HD3' ' A' ' 40' ' ' LYS . 3.0 mm -121.21 119.54 59.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CD2' HG11 ' A' ' 16' ' ' VAL . 45.4 m-85 -95.17 125.98 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 13' ' ' LEU . 7.7 m120 60.99 15.63 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.5 t0 49.08 59.15 4.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -46.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.4 mt -100.84 110.37 60.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.29 42.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.811 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.9 153.51 35.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.687 ' HB2' HD21 ' A' ' 108' ' ' LEU . 12.6 tt0 -114.07 146.75 39.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.62 HG22 ' CD1' ' A' ' 41' ' ' ILE . 18.8 t -82.63 120.63 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.5 t -89.53 -46.68 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 54' ' ' VAL . 6.5 tp10 -170.61 152.59 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.827 HG23 HG12 ' A' ' 103' ' ' ILE . 5.3 p -121.69 138.7 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 144.73 47.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -133.99 148.16 51.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 80.0 m-85 -159.11 177.14 11.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.6 mt-10 -105.24 137.0 43.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.503 ' O ' HG21 ' A' ' 100' ' ' VAL . 1.6 m 78.29 164.22 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.435 ' O ' HD13 ' A' ' 64' ' ' LEU . 71.0 m-85 -83.89 -44.05 14.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -52.06 -44.04 64.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 7.6 tp-100 -54.19 -54.3 41.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.582 ' CG2' HG23 ' A' ' 100' ' ' VAL . 3.6 t -61.29 -38.3 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 60' ' ' PHE . 8.5 mp -64.36 -31.38 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -81.25 -39.01 25.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.35 -54.54 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG3' ' HB1' ' A' ' 102' ' ' ALA . 5.9 mm-40 -103.75 156.92 34.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.424 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 52.0 mt -113.13 -38.02 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.05 -31.01 60.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -79.04 -55.09 5.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.89 HD13 HG21 ' A' ' 25' ' ' VAL . 54.5 mt -50.74 -51.45 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -130.73 128.31 22.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.33 16.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.41 -21.04 61.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 13.9 mtmt 58.17 65.02 3.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.7 m -105.44 154.61 20.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.83 -37.67 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -74.21 -45.23 49.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -55.47 -45.37 76.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.64 69.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -51.34 64.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -66.19 -57.91 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -44.16 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -87.27 53.76 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -174.12 -55.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.608 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -46.81 -54.65 9.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.3 mtm -38.59 131.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 53.76 86.73 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.84 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -179.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 57.51 71.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.022 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -72.86 83.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.57 160.02 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -82.78 151.12 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -162.28 165.53 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -160.02 -162.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 100' ' ' VAL . . . 162.18 -64.89 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.582 HG23 ' CG2' ' A' ' 63' ' ' VAL . 2.3 p 40.24 87.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.776 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.981 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 6.3 tp -145.76 132.91 20.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' HB1' ' HG3' ' A' ' 67' ' ' GLU . . . -115.5 105.43 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.827 HG12 HG23 ' A' ' 54' ' ' VAL . 36.9 mt -99.72 130.65 48.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -105.88 122.03 45.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -135.41 155.94 49.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.25 116.58 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -57.98 127.15 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 50' ' ' GLU . 1.3 mt -82.88 99.29 9.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 139.5 -103.14 0.37 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -48.86 172.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 112' ' ' LYS . 0.7 OUTLIER 56.93 163.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.415 ' N ' ' CG ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -59.24 167.02 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.516 0.198 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -89.24 155.41 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 42' ' ' ILE . 71.7 t -111.63 123.97 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -112.79 113.06 24.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -90.67 102.16 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.94 132.13 50.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.571 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.5 m-85 -88.53 117.0 27.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 7' ' ' TYR . 2.2 mp -120.12 172.56 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 3.7 mttp -95.85 154.02 17.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.36 -34.15 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.08 -49.66 76.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.558 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -76.83 -45.28 29.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.825 HD11 HD12 ' A' ' 47' ' ' ILE . 14.3 tp -56.29 -40.4 74.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.07 -48.51 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.19 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 21' ' ' LYS . 70.8 t -71.73 -37.74 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.08 -44.56 95.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 p -59.22 -30.73 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.77 -9.28 55.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -58.2 -38.01 75.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.527 ' HB3' HG22 ' A' ' 16' ' ' VAL . 3.2 tptm -74.8 121.4 21.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.05 -45.66 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.527 HD13 ' HD2' ' A' ' 68' ' ' PRO . 7.6 mt -108.03 117.09 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -101.02 111.09 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.405 HG21 HD13 ' A' ' 72' ' ' ILE . 5.1 t -99.27 125.82 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.52 156.0 13.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.543 HG22 ' HA3' ' A' ' 99' ' ' GLY . 40.1 t -46.07 118.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -41.67 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CD1' ' HD2' ' A' ' 30' ' ' PRO . 9.8 t80 60.57 141.85 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.0 82.87 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.782 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 20.0 tp60 -171.14 -51.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 35' ' ' ILE . 3.1 mt -110.18 -24.74 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -20.65 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -74.52 -24.4 58.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.625 HG23 HG21 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -43.59 158.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.91 162.25 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -52.38 142.62 16.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 98.07 -19.97 52.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.487 ' HB2' HG21 ' A' ' 51' ' ' VAL . 3.5 m-20 -74.31 178.09 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.809 ' HD3' HD11 ' A' ' 42' ' ' ILE . 4.8 tttp -132.68 144.62 50.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.727 ' C ' HD13 ' A' ' 42' ' ' ILE . 18.0 mt -125.93 142.22 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.809 HD11 ' HD3' ' A' ' 40' ' ' LYS . 1.9 mm -120.95 109.85 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD2' HG11 ' A' ' 16' ' ' VAL . 24.5 m-85 -86.32 122.99 31.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 60.37 16.23 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.446 ' HA ' HG22 ' A' ' 42' ' ' ILE . 23.6 t0 49.3 67.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -169.11 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.825 HD12 HD11 ' A' ' 13' ' ' LEU . 31.2 mt -110.23 110.7 58.26 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.38 43.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.97 152.35 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -112.48 147.87 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' A' ' 39' ' ' ASP . 39.2 t -83.27 115.8 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.646 HG22 ' HD2' ' A' ' 106' ' ' ARG . 5.1 t -80.58 -46.58 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -170.22 141.38 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.625 HG21 HG23 ' A' ' 35' ' ' ILE . 72.0 t -127.98 128.98 69.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.0 144.95 37.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -103.74 152.74 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -153.26 176.02 12.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -114.71 149.29 37.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.54 HG22 ' HG3' ' A' ' 61' ' ' ARG . 2.4 m 63.52 133.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 32.5 p90 -67.56 -35.73 79.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.54 ' HG3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -60.62 -40.02 90.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.2 -50.38 73.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.533 ' CG2' HG13 ' A' ' 100' ' ' VAL . 51.8 t -60.56 -31.95 50.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mp -79.24 -14.62 58.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -89.39 -39.37 13.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.15 -62.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.249 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.53 155.93 90.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.527 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.05 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.434 HG22 ' HD2' ' A' ' 77' ' ' PRO . 85.1 mt -117.4 -39.4 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -52.01 -39.13 58.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -73.19 -53.99 9.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 68' ' ' PRO . 79.1 mt -52.83 -44.93 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -138.78 126.88 13.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -22.03 15.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -59.72 -22.14 61.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 35.6 mtmt 59.15 64.9 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD2' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.95 170.99 19.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.2 m -102.6 153.93 19.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.12 -39.8 14.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -43.35 55.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.82 78.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.16 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.753 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -58.76 -45.92 88.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.562 ' N ' HD13 ' A' ' 83' ' ' LEU . 3.2 tttt -71.09 -41.16 70.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -58.19 -46.25 86.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -85.13 59.89 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 178.81 -54.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -48.56 -58.05 5.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 7.4 ptm -42.32 126.35 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 50.84 93.26 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.86 8.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.12 -61.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -74.72 151.64 39.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 107.975 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.1 41.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -143.88 -65.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -136.07 177.42 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 155.38 49.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -152.86 157.55 40.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.543 ' HA3' HG22 ' A' ' 27' ' ' VAL . . . 121.72 71.92 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.533 HG13 ' CG2' ' A' ' 63' ' ' VAL . 22.3 t -113.59 108.26 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.651 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -159.03 119.0 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.04 105.08 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.651 HG13 HD12 ' A' ' 101' ' ' LEU . 14.0 mt -103.56 124.18 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -109.49 115.35 29.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.9 p90 -128.07 155.32 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.646 ' HD2' HG22 ' A' ' 52' ' ' VAL . 10.4 ptm180 -124.68 118.53 26.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -57.98 136.26 21.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.2 mt -99.47 79.24 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.82 -80.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.087 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.8 169.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -46.39 170.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 14.2 tptt 57.93 160.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tmm? . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.537 0.208 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -84.7 158.83 20.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.531 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 77.5 t -125.36 142.47 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -125.5 103.8 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -84.55 101.03 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.3 mt -99.15 123.11 43.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.667 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -82.32 116.8 21.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 7' ' ' TYR . 5.4 mp -121.77 174.17 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -99.08 169.22 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.52 -36.34 78.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.59 -46.28 86.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -78.74 -43.77 24.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 32.0 tp -52.85 -44.18 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -44.82 -41.84 7.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.1 mtt -62.05 -45.3 94.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.407 ' CG2' ' HE2' ' A' ' 21' ' ' LYS . 48.1 t -64.68 -43.56 96.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -40.43 97.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -59.25 -29.82 67.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.02 -8.7 59.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.133 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -64.83 -37.36 87.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HE2' ' CG2' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -75.19 107.45 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.81 -42.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.661 HD13 ' HD2' ' A' ' 68' ' ' PRO . 5.2 mt -101.79 125.9 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -100.86 111.21 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 72' ' ' ILE . 91.2 t -98.56 105.58 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 -171.59 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 29' ' ' TYR . 31.0 m -97.02 32.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . 42.36 31.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 2.8 t80 -46.25 151.63 0.93 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.04 83.46 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.65 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.748 ' H ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -105.8 -31.39 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -30.84 20.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.89 -29.2 65.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 32' ' ' LEU . 3.3 tt -43.35 164.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -164.71 170.0 16.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 2.4 ttt180 -57.83 140.91 50.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.18 -28.05 14.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' HB2' HG21 ' A' ' 51' ' ' VAL . 45.7 m-20 -73.97 -177.8 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.725 ' HG2' HD11 ' A' ' 42' ' ' ILE . 15.8 ttpt -135.95 146.72 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.439 ' C ' HD13 ' A' ' 42' ' ' ILE . 70.5 mt -128.16 125.29 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.725 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.6 mm -104.55 122.53 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' HD2' HD22 ' A' ' 8' ' ' LEU . 58.8 m-85 -94.38 116.16 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 67.1 15.07 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.1 t0 54.88 53.97 9.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.43 -50.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -100.71 110.74 61.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.71 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.2 144.8 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' HB3' HD21 ' A' ' 108' ' ' LEU . 4.3 tt0 -108.26 139.76 42.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 39' ' ' ASP . 20.4 t -73.32 118.61 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' A' ' 106' ' ' ARG . 13.0 t -83.07 -48.95 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -176.78 146.96 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 p -124.05 135.05 64.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.66 139.82 33.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -107.86 147.66 30.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 100' ' ' VAL . 42.6 m-85 -140.4 -174.31 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -111.98 124.47 52.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.494 ' N ' HG11 ' A' ' 100' ' ' VAL . 2.3 m 69.29 130.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.452 ' O ' HD23 ' A' ' 64' ' ' LEU . 2.9 m-85 -54.46 -28.95 47.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.33 -48.18 65.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HG2' ' NH2' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -56.6 -48.18 77.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.648 HG23 ' CG2' ' A' ' 100' ' ' VAL . 18.8 t -59.29 -29.13 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.684 HD12 HD11 ' A' ' 69' ' ' ILE . 2.4 mm? -77.51 -16.36 58.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.406 ' NH2' ' HG2' ' A' ' 62' ' ' GLN . 0.7 OUTLIER -88.47 -43.88 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -76.15 -59.25 2.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HG2' HG21 ' A' ' 23' ' ' ILE . 22.3 mp0 -84.09 146.16 47.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.661 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 174.95 11.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.684 HD11 HD12 ' A' ' 64' ' ' LEU . 4.3 mt -111.46 -33.36 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.09 -29.75 65.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.29 -52.26 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.585 HD13 HG21 ' A' ' 25' ' ' VAL . 81.9 mt -49.71 -40.34 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 72' ' ' ILE . 29.5 m-85 -146.97 137.59 12.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -26.21 11.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -17.31 19.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 15.1 mtmt 48.08 64.21 8.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.04 -177.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -97.9 153.4 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -46.61 -41.18 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -75.13 -46.0 37.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -56.97 -52.93 63.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -50.93 -39.87 55.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.96 -34.92 71.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.86 -58.52 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -55.94 -30.7 62.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -69.67 -51.67 32.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -66.2 -56.3 12.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -41.81 -52.01 4.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -56.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -116.98 93.75 42.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.9 144.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -52.86 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -166.12 104.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -169.41 116.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -110.92 116.96 32.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? -141.45 178.02 7.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -52.17 169.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.93 -50.76 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.648 ' CG2' HG23 ' A' ' 63' ' ' VAL . 2.6 p -43.8 119.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -158.7 145.35 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.613 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -130.4 105.56 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.535 HG13 HD12 ' A' ' 101' ' ' LEU . 6.0 mt -101.44 116.67 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -99.47 112.56 24.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.513 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 4.7 p90 -126.68 151.28 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.462 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -119.88 104.02 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -52.84 130.11 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 50' ' ' GLU . 3.2 mt -96.29 140.21 31.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 129.09 -85.16 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.75 172.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 112' ' ' LYS . 12.6 t70 -40.64 157.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 52.5 tptt 57.62 161.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 24.5 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ttt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.485 0.183 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -73.85 155.08 39.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.627 HG22 ' HE3' ' A' ' 40' ' ' LYS . 77.5 t -120.57 127.72 75.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.446 ' CE2' HD12 ' A' ' 35' ' ' ILE . 13.8 m-85 -116.58 103.63 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -83.0 103.37 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt -104.01 121.47 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.638 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.21 118.68 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.7 mp -123.11 -179.64 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -101.83 165.26 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -38.16 88.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.4 -49.49 72.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -80.85 -46.58 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.49 -38.79 63.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.19 -40.29 32.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.454 ' CE ' ' HG2' ' A' ' 74' ' ' PRO . 14.3 mtt -61.46 -47.57 85.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.6 HG22 ' HB3' ' A' ' 21' ' ' LYS . 93.9 t -58.38 -41.3 81.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -65.66 -38.5 89.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.7 p -64.96 -26.43 68.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.39 -12.4 61.64 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -60.66 -33.92 73.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 16' ' ' VAL . 3.4 tptt -79.99 103.92 10.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.76 -44.02 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.5 mt -105.9 128.19 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -101.97 114.07 27.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.563 HG21 HD13 ' A' ' 72' ' ' ILE . 25.1 t -106.74 136.02 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.21 157.3 3.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 m -45.5 133.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -77.93 58.71 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.534 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -81.08 164.89 48.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.534 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.5 Cg_endo -74.93 84.46 1.65 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.12 -43.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -113.27 -31.17 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -25.05 23.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.79 -31.8 68.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.551 HG21 HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -40.48 152.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -156.18 174.3 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HA ' HG12 ' A' ' 51' ' ' VAL . 10.7 ttt180 -68.2 142.99 55.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.16 -25.56 27.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.39 -175.32 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.627 ' HE3' HG22 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -144.03 146.03 32.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.775 ' C ' HD13 ' A' ' 42' ' ' ILE . 6.0 mt -123.35 138.59 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.775 HD13 ' C ' ' A' ' 41' ' ' ILE . 1.7 mm -111.77 113.98 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -87.43 125.98 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 m120 57.85 17.67 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.45 ' OD1' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 48.34 66.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tp -168.87 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -107.46 110.67 63.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.76 42.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.28 149.01 28.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -114.41 145.22 42.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 37' ' ' ARG . 89.6 t -78.55 113.82 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.458 HG22 ' CD ' ' A' ' 106' ' ' ARG . 8.2 t -77.56 -46.21 27.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -170.96 145.71 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG23 HG12 ' A' ' 103' ' ' ILE . 9.0 p -112.84 143.65 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -139.24 138.23 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.461 ' HG3' HD22 ' A' ' 101' ' ' LEU . 4.5 tttt -128.83 141.17 51.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' HD2' HG22 ' A' ' 63' ' ' VAL . 11.1 m-85 -137.67 -171.93 3.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.554 ' O ' HG11 ' A' ' 100' ' ' VAL . 3.0 mt-10 -107.64 -63.91 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 p -85.84 155.51 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.7 -41.97 20.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -38.97 58.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -35.56 80.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.744 HG21 HG23 ' A' ' 100' ' ' VAL . 23.9 t -65.1 -37.24 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 9.0 mp -76.38 -6.67 52.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -94.19 -42.54 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.48 -47.69 10.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 22.2 mp0 -92.76 146.2 31.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.39 14.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.428 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 47.7 mt -112.74 -33.03 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -60.05 -46.22 90.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -66.32 -49.99 65.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.563 HD13 HG21 ' A' ' 25' ' ' VAL . 49.3 mt -56.65 -54.13 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -123.49 127.18 25.63 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.454 ' HG2' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.94 -18.63 18.73 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.532 1.806 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -9.58 58.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 6.3 mtmp? 47.47 64.31 8.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -101.6 153.23 19.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -46.65 -41.56 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -44.78 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.239 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -58.88 -52.59 65.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.528 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -48.95 -41.09 32.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -40.19 72.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -60.69 -58.95 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -54.16 -48.66 70.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -49.76 136.33 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER 82.94 -50.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.644 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.1 t-20 -53.55 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 70.7 mtm 65.11 -69.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 34.5 p90 -119.91 77.53 22.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 92' ' ' LYS . 18.4 Cg_endo -75.05 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER 87.46 -66.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -95.49 168.97 10.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 108.022 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -43.45 157.03 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.54 106.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -168.57 101.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.5 148.92 6.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.473 ' O ' ' CG ' ' A' ' 98' ' ' TYR . 1.6 p90 -174.28 128.77 0.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 139.43 120.37 1.77 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.744 HG23 HG21 ' A' ' 63' ' ' VAL . 2.4 p -154.19 84.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.616 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -148.45 120.31 8.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.419 ' HB1' ' HG2' ' A' ' 67' ' ' GLU . . . -106.85 108.15 19.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.616 HG13 HD12 ' A' ' 101' ' ' LEU . 48.5 mt -104.19 132.98 49.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -109.47 130.3 55.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 3.2 p90 -145.5 150.9 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.458 ' CD ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -122.43 112.78 18.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 107' ' ' VAL . 10.6 p -55.82 118.27 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.38 123.36 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.11 -89.06 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.5 163.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -51.56 172.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.92 178.58 4.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.496 0.189 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 158.66 32.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.467 HG13 ' CG1' ' A' ' 42' ' ' ILE . 74.2 t -119.95 134.02 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -121.93 114.81 21.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -87.85 105.29 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.23 125.66 50.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.548 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.4 m-85 -83.92 118.93 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 7' ' ' TYR . 1.4 mp -120.53 179.64 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.54 153.05 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -27.64 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.28 -52.52 32.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.2 m-30 -74.98 -40.4 60.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.652 HD11 ' CD1' ' A' ' 47' ' ' ILE . 11.9 tp -58.11 -43.99 87.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.56 -49.23 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -39.54 90.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.478 HG11 ' CD2' ' A' ' 43' ' ' PHE . 70.4 t -64.68 -38.72 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -41.55 93.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.2 p -59.75 -23.69 63.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.05 -7.25 73.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -62.53 -37.47 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -73.0 107.56 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.89 -40.88 2.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.512 HD13 ' CD ' ' A' ' 67' ' ' GLU . 66.6 mt -102.53 121.39 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -102.63 112.1 24.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 72' ' ' ILE . 49.2 t -99.59 122.73 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -157.61 141.89 16.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -42.32 135.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 101' ' ' LEU . . . -75.69 60.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -82.68 163.52 51.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.99 81.88 2.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.401 ' C ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -174.01 -49.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 31' ' ' GLN . 2.7 mt -110.64 -24.23 10.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -23.44 57.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -29.96 63.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -42.28 159.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.97 163.9 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.09 135.72 56.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.95 -27.68 11.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.36 -175.59 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' CD ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -137.07 154.06 50.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.446 ' O ' HD13 ' A' ' 42' ' ' ILE . 24.6 mt -135.44 139.47 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG1' HG13 ' A' ' 3' ' ' VAL . 1.5 mm -120.13 116.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.478 ' CD2' HG11 ' A' ' 16' ' ' VAL . 39.9 m-85 -86.8 122.8 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 63.45 14.23 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER 52.64 56.93 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.537 HD23 HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -158.27 -46.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.652 ' CD1' HD11 ' A' ' 13' ' ' LEU . 3.0 mt -102.38 110.67 63.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.38 40.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.29 143.97 24.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.76 147.59 30.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.98 121.86 31.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.3 t -89.84 -49.8 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -163.29 148.46 11.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG23 HG12 ' A' ' 103' ' ' ILE . 3.7 p -128.24 127.96 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 57' ' ' TYR . 1.9 mmtp -142.81 149.08 38.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -126.69 151.99 47.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.52 ' CE1' ' HD2' ' A' ' 55' ' ' LYS . 45.6 m-85 -150.5 179.58 8.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.841 ' O ' HG22 ' A' ' 59' ' ' THR . 2.3 mt-10 -106.89 156.77 18.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 58' ' ' GLU . 14.7 t 52.99 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 18.5 p90 -99.63 -39.5 8.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.609 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -50.65 -36.28 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.528 ' H ' HG23 ' A' ' 59' ' ' THR . 0.4 OUTLIER -74.56 -52.64 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.494 HG21 HG23 ' A' ' 100' ' ' VAL . 3.0 t -51.77 -30.22 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HG ' HD11 ' A' ' 69' ' ' ILE . 5.9 mp -73.36 -29.11 62.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' GLN . 2.1 mmp_? -77.2 -39.49 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 2.7 tt0 -76.52 -56.5 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.512 ' CD ' HD13 ' A' ' 23' ' ' ILE . 4.7 mm-40 -92.85 151.34 40.7 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 172.58 16.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 22.5 mt -112.62 -31.3 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.24 -34.64 76.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -75.6 -56.17 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.442 HD13 HG21 ' A' ' 25' ' ' VAL . 48.5 mt -50.31 -44.62 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 65.3 m-85 -135.36 130.95 19.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 73' ' ' PHE . 18.4 Cg_endo -74.95 -22.13 15.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -20.58 52.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt 50.74 64.94 7.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.02 -169.97 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -111.86 153.48 26.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.37 -40.64 17.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.59 57.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -49.01 77.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.25 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -51.28 67.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -54.84 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -41.66 -46.51 3.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.52 -50.95 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -54.43 -57.32 11.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.595 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.25 93.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.61 146.42 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 52.38 98.32 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.32 11.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 79.72 109.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 60.25 94.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.039 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -70.49 70.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.36 69.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.57 170.49 22.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.88 141.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 98' ' ' TYR . 24.8 p90 -170.65 116.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.44 144.52 15.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.494 HG23 HG21 ' A' ' 63' ' ' VAL . 9.1 p -156.75 56.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.755 HD22 HG13 ' A' ' 103' ' ' ILE . 2.4 tt -122.86 130.91 53.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.529 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -110.34 104.62 13.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.755 HG13 HD22 ' A' ' 101' ' ' LEU . 40.7 mt -99.58 133.05 43.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.1 113.44 23.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 2.9 p90 -126.91 153.3 45.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 3.7 ttp180 -121.56 114.41 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 107' ' ' VAL . 14.9 p -57.92 119.09 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.1 mt -73.38 101.95 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.87 107.26 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.68 166.57 12.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -40.95 159.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.95 174.07 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.544 0.211 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.1 tttt -113.07 165.1 12.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.482 HG13 ' CG1' ' A' ' 42' ' ' ILE . 66.1 t -121.67 138.45 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -126.55 114.36 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -86.15 103.06 14.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.8 mt -105.18 118.02 35.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.492 ' O ' HD12 ' A' ' 8' ' ' LEU . 7.1 m-85 -81.3 117.09 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 7' ' ' TYR . 2.7 mp -118.95 176.73 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -98.05 148.22 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -28.57 42.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.25 -51.83 48.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.3 m-30 -75.38 -43.92 47.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.574 HD11 HD12 ' A' ' 47' ' ' ILE . 8.4 tp -53.21 -42.64 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.69 -49.05 10.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -45.29 81.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.721 HG22 ' HB3' ' A' ' 21' ' ' LYS . 46.2 t -60.24 -44.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -59.44 -40.93 88.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 p -64.72 -29.35 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.19 -21.08 31.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -50.9 -47.86 60.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.721 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -66.54 110.8 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -127.14 -44.8 1.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 26.5 mt -106.65 125.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 25' ' ' VAL . 6.4 tp10 -109.35 114.8 28.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 101' ' ' LEU . 97.0 t -108.11 101.63 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.74 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.6 tpt180 -140.12 68.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.282 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 26' ' ' ARG . 6.2 p 50.77 178.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.716 ' H ' HG22 ' A' ' 27' ' ' VAL . . . -126.73 58.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -84.61 169.26 17.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.05 84.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 -55.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -136.98 15.6 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -82.18 -31.9 30.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 1.1 t70 -72.76 -26.85 61.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 32' ' ' LEU . 5.5 tt -45.98 154.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -158.72 179.76 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -59.77 141.42 55.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.57 -18.29 38.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.06 177.1 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 16.1 ttpt -130.09 145.48 51.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.489 HD11 HD13 ' A' ' 35' ' ' ILE . 58.6 mt -127.7 133.2 68.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.482 ' CG1' HG13 ' A' ' 3' ' ' VAL . 3.2 mm -114.45 123.91 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.56 ' CD2' HG11 ' A' ' 16' ' ' VAL . 22.3 m-85 -97.64 127.69 43.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 59.61 16.92 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER 48.71 60.45 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.9 tp -160.03 -51.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.574 HD12 HD11 ' A' ' 13' ' ' LEU . 6.3 mt -102.3 111.37 64.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.62 42.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.06 146.33 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -108.99 143.19 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.2 t -78.0 113.41 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.5 t -79.42 -49.03 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -170.99 145.24 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.762 HG23 HG12 ' A' ' 103' ' ' ILE . 7.1 p -115.75 139.85 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -140.09 137.05 34.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -125.74 141.41 52.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.467 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 41.0 m-85 -132.48 -175.53 3.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -112.33 -45.31 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 63' ' ' VAL . 40.6 m -92.46 126.56 37.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 52.0 p90 -65.55 -38.95 91.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -61.51 -45.23 95.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 65' ' ' ARG . 1.4 tm0? -58.59 -36.11 73.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.904 HG21 HG13 ' A' ' 100' ' ' VAL . 49.7 t -58.52 -38.23 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.587 HD12 ' CG1' ' A' ' 69' ' ' ILE . 2.3 mm? -71.65 -21.6 61.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' A' ' 65' ' ' ARG . 1.7 mmp_? -80.54 -44.92 18.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.75 -60.75 2.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -77.18 148.94 78.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 72' ' ' ILE . 18.5 Cg_endo -74.94 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.587 ' CG1' HD12 ' A' ' 64' ' ' LEU . 4.6 mt -112.23 -36.82 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.22 -45.44 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -70.82 -55.9 7.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 68' ' ' PRO . 60.5 mt -48.55 -55.76 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -122.27 128.2 25.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.14 9.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -15.16 35.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 7.4 mtmt 53.66 64.33 6.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 173.36 14.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.8 m -94.41 154.3 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -46.8 -41.11 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -44.13 47.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -52.72 64.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.01 -39.84 28.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -61.72 -41.2 97.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.413 ' N ' HD13 ' A' ' 83' ' ' LEU . 6.2 ttmt -74.14 -47.17 37.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -49.41 -46.71 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.86 -41.31 95.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -68.99 -62.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.591 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.31 108.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.2 tpt -174.03 -52.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -108.73 154.92 41.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 66.59 6.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.565 1.824 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 mttm 67.13 -77.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 2.3 t90 76.56 -62.85 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 107.995 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.93 145.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.36 123.79 22.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -175.98 -176.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.77 136.26 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -56.64 165.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.504 ' HA3' HG23 ' A' ' 27' ' ' VAL . . . -66.24 148.65 50.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.904 HG13 HG21 ' A' ' 63' ' ' VAL . 66.1 t -118.18 102.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.567 HD13 ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -159.07 143.88 15.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.567 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -148.19 106.47 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.762 HG12 HG23 ' A' ' 54' ' ' VAL . 39.3 mt -104.28 131.35 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -99.83 117.46 34.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.2 p90 -129.61 152.51 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.433 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 5.8 mtp180 -125.94 122.82 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.462 HG12 ' CZ ' ' A' ' 110' ' ' ARG . 13.8 p -64.44 121.48 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.76 97.35 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 110' ' ' ARG . . . 162.59 -100.38 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.462 ' CZ ' HG12 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -38.93 149.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 112' ' ' LYS . 0.1 OUTLIER 57.37 162.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' N ' ' CG ' ' A' ' 111' ' ' ASP . 11.5 ttpt 56.3 166.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.232 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.48 0.181 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -86.57 166.58 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' A' ' 42' ' ' ILE . 65.0 t -120.02 133.61 66.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.524 ' HB3' HD21 ' A' ' 6' ' ' LEU . 67.1 m-85 -125.1 121.19 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -93.84 92.35 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 6' ' ' LEU . 3.8 mt -86.61 119.98 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.72 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -81.23 116.14 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 7' ' ' TYR . 9.7 mp -127.37 169.3 13.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.36 162.35 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -31.35 71.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.56 -50.12 72.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.4 m-85 -79.27 -45.45 19.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD11 HD12 ' A' ' 47' ' ' ILE . 12.0 tp -53.28 -43.88 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -45.72 -41.48 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.06 -44.1 97.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' A' ' 21' ' ' LYS . 88.8 t -60.92 -38.48 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.178 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -61.86 -47.59 84.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.0 p -59.01 -28.12 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CD ' ' A' ' 22' ' ' ARG . . . 102.97 -13.73 56.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -54.34 -51.11 65.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.624 ' HB3' HG22 ' A' ' 16' ' ' VAL . 1.9 tptp -57.14 107.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -123.6 -42.29 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mt -113.55 113.49 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -106.12 111.21 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' A' ' 102' ' ' ALA . 34.6 t -106.86 101.25 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.11 58.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 28' ' ' ALA . 61.4 t 61.33 159.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -96.97 56.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.48 157.14 0.38 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -116.16 -3.25 12.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -118.3 -49.31 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -26.49 4.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.11 -29.43 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.575 HG21 ' CD1' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -41.4 152.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.87 159.53 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -58.58 133.25 55.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.45 -10.09 53.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' HB2' HG21 ' A' ' 51' ' ' VAL . 11.8 m-20 -78.03 -177.78 5.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.819 ' HG2' HD11 ' A' ' 42' ' ' ILE . 12.3 ttpt -135.63 135.04 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.984 ' C ' HD13 ' A' ' 42' ' ' ILE . 42.6 mt -116.8 134.14 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.984 HD13 ' C ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -114.8 106.43 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CD2' HG21 ' A' ' 16' ' ' VAL . 28.7 m-85 -79.39 123.86 27.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.8 m120 61.1 14.71 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 t70 52.39 64.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 tp -167.1 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.56 HD12 HD11 ' A' ' 13' ' ' LEU . 9.0 mt -106.34 110.61 64.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 153.75 42.08 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.53 151.71 33.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -112.77 145.11 41.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.557 HG21 ' HB2' ' A' ' 39' ' ' ASP . 15.6 t -78.04 125.32 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 7.0 t -91.54 -47.35 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -168.22 146.3 4.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.79 138.23 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -137.01 153.18 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -125.19 140.29 52.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . 50.1 m-85 -138.26 -170.46 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -120.16 177.15 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.2 p 40.72 -138.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.499 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 45.7 p90 -143.07 -45.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.499 ' N ' ' CG ' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -53.28 -38.86 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -59.93 -42.19 93.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.77 HG21 HG23 ' A' ' 100' ' ' VAL . 4.8 t -61.0 -31.97 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.745 HD23 HD11 ' A' ' 69' ' ' ILE . 5.8 mp -74.35 -21.91 59.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.468 ' CG ' ' HD3' ' A' ' 61' ' ' ARG . 5.5 mmm180 -86.79 -42.33 13.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -63.26 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.53 153.82 46.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 175.13 11.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.745 HD11 HD23 ' A' ' 64' ' ' LEU . 34.0 mt -113.43 -36.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -53.9 -41.96 68.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -72.36 -56.74 4.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 55.7 mt -46.29 -49.58 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -134.45 128.33 19.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.71 13.52 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -17.39 24.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 52.48 68.17 3.33 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.5 Cg_endo -74.96 178.99 6.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.537 1.809 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.4 m -108.16 155.53 20.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -48.08 -39.01 18.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -40.81 63.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -42.08 87.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.22 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 84' ' ' LYS . 0.4 OUTLIER -67.61 -45.77 74.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.628 ' N ' HD23 ' A' ' 83' ' ' LEU . 4.0 tptt -72.44 -50.62 24.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -48.62 11.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -77.34 56.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -178.44 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.56 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.52 87.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.1 -177.13 5.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 9.9 p90 -130.72 71.82 82.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -54.92 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -169.53 70.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.452 ' CB ' ' O ' ' A' ' 92' ' ' LYS . 1.2 t-105 83.2 -66.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.021 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -164.24 150.72 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.37 167.91 15.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.82 159.48 19.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.8 155.3 29.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.3 t80 173.69 154.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 114.18 132.78 5.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.168 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.77 HG23 HG21 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -161.4 102.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.628 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -158.76 119.48 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.44 ' HA ' HG22 ' A' ' 25' ' ' VAL . . . -105.89 105.1 14.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.575 ' CD1' HG21 ' A' ' 35' ' ' ILE . 34.5 mt -97.33 131.83 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -110.87 117.37 33.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.523 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 41.9 p90 -130.09 156.45 44.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -123.13 110.28 15.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.55 128.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.3 mt -85.34 107.33 17.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 135.42 -96.97 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.92 167.53 2.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -161.34 158.95 27.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -144.65 -178.35 5.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.53 0.205 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -103.51 158.56 16.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.514 HG13 ' CG1' ' A' ' 42' ' ' ILE . 46.2 t -115.34 137.51 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CG ' HD12 ' A' ' 35' ' ' ILE . 33.6 m-85 -127.27 109.32 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' C ' HD23 ' A' ' 6' ' ' LEU . 78.4 mtm180 -89.26 100.14 12.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 6' ' ' LEU . 5.1 mt -97.68 123.91 41.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.699 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.5 m-85 -80.95 116.5 20.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 7' ' ' TYR . 6.3 mp -122.81 178.88 4.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.02 153.4 20.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -40.45 62.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.81 -52.01 66.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.4 m-30 -71.97 -48.03 47.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' A' ' 47' ' ' ILE . 16.3 tp -53.35 -42.92 67.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -44.87 -48.66 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -42.64 90.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.7 HG11 ' CD2' ' A' ' 43' ' ' PHE . 91.3 t -63.81 -47.67 89.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -42.09 86.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.9 p -59.34 -26.58 65.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.943 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.85 -20.87 46.07 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -52.9 -44.21 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -71.85 106.36 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.42 -40.57 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.487 HG22 HG23 ' A' ' 25' ' ' VAL . 33.4 mt -107.52 127.33 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -109.56 111.17 22.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.756 HG22 ' HA ' ' A' ' 102' ' ' ALA . 97.1 t -125.0 131.92 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.68 -68.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 m -150.15 179.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 101' ' ' LEU . . . -127.47 27.43 5.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 1.4 t80 -42.09 153.19 0.29 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.04 91.34 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.18 -44.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -106.59 -35.75 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -31.72 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -58.96 -33.63 70.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.588 HD12 ' CG ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -42.25 162.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.8 ' HA ' HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -167.38 -178.24 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.65 148.65 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.2 -5.51 78.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' HB2' HG21 ' A' ' 51' ' ' VAL . 98.6 m-20 -94.39 -179.88 5.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.755 ' HG2' HD11 ' A' ' 42' ' ' ILE . 12.8 ttpt -134.14 141.5 47.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.569 ' C ' HD13 ' A' ' 42' ' ' ILE . 28.5 mt -122.56 132.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.755 HD11 ' HG2' ' A' ' 40' ' ' LYS . 1.5 mm -112.59 111.19 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.7 ' CD2' HG11 ' A' ' 16' ' ' VAL . 29.1 m-85 -80.6 120.68 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.06 17.92 7.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.6 t0 51.55 60.77 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -159.64 -50.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.529 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.3 mt -101.31 110.73 62.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.1 41.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.11 146.58 26.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -110.17 141.92 42.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 39' ' ' ASP . 14.8 t -74.46 123.47 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.6 t -90.32 -47.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -167.12 144.17 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.8 HG11 ' HA ' ' A' ' 36' ' ' LYS . 7.4 p -128.02 134.43 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -142.96 149.68 38.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -114.82 150.54 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.437 ' HB2' HG22 ' A' ' 63' ' ' VAL . 94.5 m-85 -141.63 -170.91 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -129.4 127.23 40.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m 74.12 124.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.457 ' O ' HD13 ' A' ' 64' ' ' LEU . 46.8 p90 -57.31 -30.62 64.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -36.6 78.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -47.26 60.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.963 HG21 HG23 ' A' ' 100' ' ' VAL . 89.3 t -53.68 -33.34 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 60' ' ' PHE . 6.0 mp -69.53 -24.97 63.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -87.46 -40.97 13.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.72 -61.25 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -91.47 156.62 43.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 173.08 15.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.422 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 57.7 mt -114.87 -38.7 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -51.5 -30.01 18.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -82.69 -51.4 7.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 84.4 mt -53.66 -61.68 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -118.99 128.91 25.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -20.78 16.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -15.45 46.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 9.6 mtmm 52.62 64.47 7.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.07 174.44 12.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -104.65 152.39 22.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -47.14 -41.19 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -40.52 60.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -63.75 -47.55 80.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.84 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -52.39 64.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -54.92 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -41.05 -47.01 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -84.56 50.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -173.14 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -73.24 79.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.0 mtt -140.77 164.93 28.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 58.59 156.44 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.26 13.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.444 1.76 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -77.45 116.53 18.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -73.33 72.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -176.69 81.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.1 136.37 38.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.23 -59.52 3.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 74.06 103.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -176.94 141.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.12 137.48 4.54 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.963 HG23 HG21 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -154.59 111.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 109.325 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -158.73 130.13 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.756 ' HA ' HG22 ' A' ' 25' ' ' VAL . . . -112.13 107.34 16.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mt -102.66 125.04 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -108.32 115.23 29.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.466 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 7.1 p90 -128.84 153.18 47.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.437 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 3.3 mtt180 -123.81 109.59 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.31 127.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -80.15 93.07 5.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 159.58 -145.77 11.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 59.39 153.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.332 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.75 147.48 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 0.1 OUTLIER 59.13 158.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 15.4 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.514 0.197 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -73.66 162.37 29.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.645 HG13 HD11 ' A' ' 42' ' ' ILE . 74.9 t -121.61 123.69 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CD2' HD12 ' A' ' 35' ' ' ILE . 10.3 m-85 -110.86 118.17 35.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -94.13 108.85 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 mt -103.37 122.62 45.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.734 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -80.82 116.32 20.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 7' ' ' TYR . 7.5 mp -124.77 169.56 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -99.39 149.13 23.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.5 -27.48 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.81 -54.52 44.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -82.69 -39.59 21.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.511 HD22 ' OD1' ' A' ' 44' ' ' ASN . 8.8 tp -53.63 -51.02 64.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -45.13 -41.62 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -38.86 89.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.85 HG22 ' HB3' ' A' ' 21' ' ' LYS . 58.2 t -69.83 -40.18 78.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.88 -38.14 89.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.5 p -64.85 -27.45 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.34 -24.37 22.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -48.33 -56.48 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.85 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -59.84 114.27 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -129.74 -44.04 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.7 mt -111.47 119.89 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -105.82 120.67 42.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 101' ' ' LEU . 1.4 p -108.61 135.03 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.538 ' O ' HG12 ' A' ' 27' ' ' VAL . 7.2 ttt180 -177.95 83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.759 HG22 ' H ' ' A' ' 28' ' ' ALA . 2.4 p 44.9 -169.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.759 ' H ' HG22 ' A' ' 27' ' ' VAL . . . -137.71 78.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -90.1 170.1 11.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.31 9.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 18.3 tp60 -105.76 2.25 27.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.3 mt -145.26 -52.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -49.78 -30.45 9.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.9 -33.96 76.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.512 HG21 HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -47.14 158.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.36 166.73 6.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -56.32 136.94 53.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.54 -22.63 28.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 0.8 OUTLIER -82.14 -171.9 3.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.736 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.633 ' CD ' HD11 ' A' ' 42' ' ' ILE . 10.6 ttmm -141.02 140.26 34.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.524 ' C ' HD13 ' A' ' 42' ' ' ILE . 65.4 mt -117.67 140.49 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.645 HD11 HG13 ' A' ' 3' ' ' VAL . 1.2 mm -122.0 122.51 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.51 ' CD2' HG11 ' A' ' 16' ' ' VAL . 62.1 m-85 -96.29 118.71 33.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.511 ' OD1' HD22 ' A' ' 13' ' ' LEU . 0.3 OUTLIER 65.77 14.59 9.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 60.0 t0 52.94 58.24 5.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.33 -48.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.431 HD13 ' HG2' ' A' ' 17' ' ' LYS . 3.9 mt -101.53 110.4 61.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.38 42.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.91 149.32 29.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -109.17 138.25 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 t -73.65 124.59 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.7 HG21 ' HD3' ' A' ' 106' ' ' ARG . 20.2 t -90.0 -49.13 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.06 149.14 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.29 137.9 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 136.97 36.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HA ' HD22 ' A' ' 101' ' ' LEU . 7.2 tttp -118.88 140.84 49.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.4 ' OH ' ' CD ' ' A' ' 66' ' ' GLU . 57.8 m-85 -142.63 -170.85 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' C ' ' HG1' ' A' ' 59' ' ' THR . 11.6 pt-20 -115.44 -172.91 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.405 ' HG1' ' C ' ' A' ' 58' ' ' GLU . 62.3 p 38.16 -157.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -117.9 -49.94 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -51.03 -38.88 54.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -50.6 -55.26 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.658 ' CG2' HG23 ' A' ' 100' ' ' VAL . 2.6 t -61.51 -32.39 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.552 HD23 HD11 ' A' ' 69' ' ' ILE . 8.5 mp -75.69 -20.82 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' ARG . 7.7 mmm180 -88.26 -41.0 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -75.82 -60.38 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HG3' ' HB1' ' A' ' 102' ' ' ALA . 26.6 mm-40 -93.17 148.54 35.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.26 10.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.552 HD11 HD23 ' A' ' 64' ' ' LEU . 31.3 mt -110.32 -28.8 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -60.5 -41.39 94.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -74.52 -56.12 5.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.466 HG22 ' CE1' ' A' ' 73' ' ' PHE . 45.2 mt -50.84 -43.09 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.466 ' CE1' HG22 ' A' ' 72' ' ' ILE . 21.1 m-85 -137.33 121.73 12.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.26 17.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.446 1.761 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.12 -21.22 58.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 9.1 mtmt 56.13 64.51 5.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.0 -175.45 2.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 m -102.95 151.83 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -46.89 -41.28 15.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -43.24 55.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -52.21 65.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.35 32.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.484 ' HG ' ' CE1' ' A' ' 87' ' ' HIS . 0.5 OUTLIER -63.7 -51.83 63.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -55.1 -50.07 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -44.05 87.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 64' ' ' LEU . 1.9 m-85 -67.31 -13.27 61.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.484 ' CE1' ' HG ' ' A' ' 83' ' ' LEU . 20.0 m170 -117.81 26.76 9.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.644 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -144.79 -67.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.465 ' HG3' ' CE2' ' A' ' 98' ' ' TYR . 1.2 mmt 47.63 -175.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 20.7 m-85 -46.14 146.73 2.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 90' ' ' TYR . 18.3 Cg_endo -75.04 -50.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.53 -159.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.06 79.35 5.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.49 117.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 177.01 121.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.19 -51.34 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -41.22 150.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.47 ' HE1' HG22 ' A' ' 25' ' ' VAL . 2.4 t80 -129.75 -60.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.91 -154.1 16.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.658 HG23 ' CG2' ' A' ' 63' ' ' VAL . 2.9 p -165.11 98.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -155.33 141.38 18.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.505 ' HB1' ' HG3' ' A' ' 67' ' ' GLU . . . -135.52 108.35 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.512 HD13 HG21 ' A' ' 35' ' ' ILE . 36.5 mt -101.3 132.01 47.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.5 116.22 31.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 21.2 p90 -130.88 152.91 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.7 ' HD3' HG21 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -121.35 116.18 24.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.5 p -61.12 135.75 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mt -99.59 89.8 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 175.91 -84.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.35 159.38 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.07 168.6 17.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -105.98 173.83 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.467 0.175 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -87.01 153.57 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.529 HG13 HG12 ' A' ' 42' ' ' ILE . 54.9 t -111.53 136.66 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.569 ' CE1' HD12 ' A' ' 35' ' ' ILE . 23.1 m-85 -125.22 105.25 8.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -81.83 94.05 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -94.63 122.32 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -84.78 116.96 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 7' ' ' TYR . 4.0 mp -121.62 169.98 10.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -89.29 157.26 18.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -33.62 71.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.77 -53.07 62.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -77.73 -46.27 22.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 ' ND2' ' A' ' 44' ' ' ASN . 7.4 tp -52.95 -43.05 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -45.56 -48.04 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 mtt -58.03 -44.88 87.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -58.53 -38.82 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -41.57 94.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 p -59.12 -37.0 76.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.63 -1.94 34.27 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 124.52 22.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.13 -46.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.464 HD13 ' HD2' ' A' ' 68' ' ' PRO . 3.3 mp -98.3 126.83 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' C ' ' CD ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -108.54 111.07 22.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 m -106.51 111.3 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -162.23 167.52 23.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.478 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 78.5 t -45.06 129.48 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.758 ' CB ' HD13 ' A' ' 101' ' ' LEU . . . -75.58 59.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' HB2' HD12 ' A' ' 32' ' ' LEU . 23.2 m-85 -54.94 161.72 2.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.77 21.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 8.66 37.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 29' ' ' TYR . 16.9 mt -135.85 -53.02 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HA ' HD21 ' A' ' 101' ' ' LEU . 1.5 pptp? -50.36 -31.59 15.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.77 -27.4 64.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 4' ' ' TYR . 0.5 OUTLIER -50.41 153.24 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -164.6 177.4 8.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.22 131.83 48.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.94 -17.52 35.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.31 -179.67 7.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.603 ' HG2' HD11 ' A' ' 42' ' ' ILE . 17.6 ttpt -138.19 144.41 40.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 49' ' ' ALA . 63.1 mt -129.02 127.61 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.603 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.5 mm -106.57 114.87 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.571 ' CD2' HD22 ' A' ' 8' ' ' LEU . 15.1 m-85 -86.81 126.54 34.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.579 ' ND2' HD22 ' A' ' 13' ' ' LEU . 3.9 m120 60.54 15.96 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 51.27 59.25 4.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.6 tp -161.87 -48.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.471 HD12 HD11 ' A' ' 13' ' ' LEU . 5.5 mt -104.12 110.53 64.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.401 ' HB3' HD12 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.05 160.5 39.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' HB1' ' HD1' ' A' ' 105' ' ' PHE . . . -151.01 147.18 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -110.37 139.4 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 t -75.51 120.41 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.524 HG23 ' HA ' ' A' ' 105' ' ' PHE . 6.1 t -89.82 -45.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -166.4 159.31 14.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.72 147.35 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -142.65 149.35 38.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.541 ' HG3' HD12 ' A' ' 101' ' ' LEU . 17.6 tttm -136.47 144.79 44.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.534 ' CE1' ' OE1' ' A' ' 62' ' ' GLN . 5.0 m-85 -146.02 -171.34 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -106.67 -60.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 p -93.66 149.41 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -35.97 69.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -50.9 -41.0 58.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.534 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -65.27 -37.02 85.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.74 HG21 HG13 ' A' ' 100' ' ' VAL . 55.7 t -63.48 -28.85 45.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.31 -12.37 59.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -88.12 -45.86 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -55.46 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 41.2 mp0 -84.66 149.08 53.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.464 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 174.12 13.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 46.3 mt -111.88 -34.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.6 -36.76 76.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -73.03 -54.82 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.7 mt -47.29 -51.45 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 17.2 m-85 -135.52 136.43 23.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.99 -23.44 13.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.56 -19.1 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 50.65 66.76 5.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -104.9 155.49 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.03 -39.94 13.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.1 -48.71 22.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -46.63 83.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.24 -33.97 63.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -52.31 22.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -60.98 -53.67 54.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -41.98 -48.79 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.95 54.34 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -176.5 -61.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.61 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -43.68 -66.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.45 157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 38.88 88.23 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.413 1.744 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.86 69.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 64.19 152.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.03 72.93 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -178.17 111.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -122.28 -41.77 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.34 -64.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.61 175.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -102.34 -179.42 27.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.74 HG13 HG21 ' A' ' 63' ' ' VAL . 3.1 t -149.04 79.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.758 HD13 ' CB ' ' A' ' 28' ' ' ALA . 5.0 tp -126.91 121.49 31.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 55' ' ' LYS . . . -99.61 104.63 16.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.3 mt -102.77 126.86 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -107.7 128.97 55.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.524 ' HA ' HG23 ' A' ' 52' ' ' VAL . 5.9 p90 -149.65 156.94 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.433 ' HG2' HG22 ' A' ' 52' ' ' VAL . 4.0 ptm180 -135.3 123.56 23.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.3 p -57.07 135.33 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mt -85.8 95.73 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.28 -145.01 13.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 61.28 156.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 0.781 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.3 140.33 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -145.53 176.99 9.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.513 0.197 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -85.24 158.11 20.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.477 HG13 ' CG1' ' A' ' 42' ' ' ILE . 55.4 t -117.13 131.92 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.47 ' CE2' HD12 ' A' ' 35' ' ' ILE . 13.8 m-85 -117.52 126.56 52.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -97.12 78.95 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.8 mt -75.21 123.02 24.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.739 ' C ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -82.69 116.72 22.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.739 HD12 ' C ' ' A' ' 7' ' ' TYR . 6.7 mp -123.58 159.83 28.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 6.0 mttp -87.8 160.15 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -34.86 69.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.98 -57.93 6.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.7 m-30 -64.64 -41.13 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.415 HD11 HD12 ' A' ' 47' ' ' ILE . 8.3 tp -58.33 -44.19 88.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -49.09 12.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtt -56.61 -43.6 80.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.75 HG11 ' CD2' ' A' ' 43' ' ' PHE . 80.4 t -62.49 -35.73 71.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -29.81 64.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.1 p -70.19 -27.52 64.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.7 -17.48 49.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -45.88 87.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.671 ' HB3' HG22 ' A' ' 16' ' ' VAL . 3.0 tptm -65.99 108.64 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.11 -44.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.1 mt -108.24 123.87 64.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 14.5 pt-20 -112.75 110.95 21.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 101' ' ' LEU . 7.3 p -106.19 113.61 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -150.48 82.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 26' ' ' ARG . 34.6 m 45.13 -168.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.01 33.01 2.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -56.73 166.26 1.39 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.28 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.749 ' HG3' HD23 ' A' ' 32' ' ' LEU . 5.8 tp-100 -153.49 -64.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.749 HD23 ' HG3' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -133.53 17.37 3.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -76.93 -23.47 52.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.82 -25.62 35.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.644 HG23 HG21 ' A' ' 54' ' ' VAL . 2.1 tt -41.95 161.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.34 177.23 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 6.7 ttt180 -58.95 140.55 55.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.43 -27.57 15.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.72 -177.7 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HG2' HD11 ' A' ' 42' ' ' ILE . 22.7 ttpt -134.31 142.34 47.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' ALA . 41.7 mt -127.09 128.2 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.582 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.3 mm -113.38 116.92 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.75 ' CD2' HG11 ' A' ' 16' ' ' VAL . 31.6 m-85 -84.48 122.54 29.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.537 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 1.4 m120 63.39 13.68 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.8 t0 55.24 50.2 15.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -149.31 -49.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.415 HD12 HD11 ' A' ' 13' ' ' LEU . 4.7 mt -101.53 110.9 63.0 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 152.04 40.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.02 149.13 29.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -107.05 149.21 27.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.81 115.73 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 106' ' ' ARG . 7.4 t -76.58 -48.64 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -174.77 142.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.644 HG21 HG23 ' A' ' 35' ' ' ILE . 87.5 t -121.83 134.32 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -142.49 155.28 45.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' CD ' HD23 ' A' ' 101' ' ' LEU . 6.3 ttpt -124.93 143.08 51.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 55' ' ' LYS . 69.2 m-85 -139.34 -171.85 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.07 149.65 43.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 61' ' ' ARG . 99.6 m 61.49 108.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.381 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -46.69 -27.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -65.94 -43.31 88.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -59.43 -48.22 82.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.564 ' CG2' HG23 ' A' ' 100' ' ' VAL . 13.3 t -54.46 -30.28 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.25 -29.9 63.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -83.45 -41.21 18.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.2 -55.37 8.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -95.78 158.95 33.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.38 14.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.5 HG22 ' HD2' ' A' ' 77' ' ' PRO . 71.0 mt -115.72 -40.16 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -55.17 -28.68 54.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -80.01 -55.74 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.421 HG22 ' CE2' ' A' ' 73' ' ' PHE . 39.2 mt -44.26 -46.41 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.421 ' CE2' HG22 ' A' ' 72' ' ' ILE . 58.6 m-85 -134.42 146.83 61.0 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.84 14.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.559 1.821 . . . . 0.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -68.02 -13.98 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' ASP . 8.3 pttt 38.27 64.54 3.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.5 ' HD2' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.95 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -89.42 159.48 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.98 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.05 -38.32 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.02 -43.81 51.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -45.77 90.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 86' ' ' PHE . . . -67.45 -31.67 71.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.694 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -65.3 -50.9 63.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.578 ' N ' HD13 ' A' ' 83' ' ' LEU . 5.7 ttpt -71.61 -36.83 70.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -57.0 -42.59 80.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 82' ' ' ALA . 3.3 m-85 -67.0 -39.61 87.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -94.71 34.95 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -118.56 -66.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.19 136.29 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.608 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 37.7 p90 -40.41 100.4 0.22 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -73.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -160.3 -76.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -172.49 91.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 43.27 42.49 3.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -157.96 103.8 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -166.84 146.93 5.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 176.7 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -57.21 -177.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.07 116.93 3.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.564 HG23 ' CG2' ' A' ' 63' ' ' VAL . 7.8 p -172.64 97.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -159.05 129.39 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -116.48 112.87 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.599 ' CD1' HD12 ' A' ' 32' ' ' LEU . 24.4 mt -109.05 132.05 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -114.31 119.07 35.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 11.0 p90 -133.63 148.48 51.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -118.37 114.73 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.1 p -58.43 127.3 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.97 120.06 30.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.45 -96.55 0.28 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -42.23 155.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.269 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.47 143.74 31.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -52.78 175.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.443 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.506 0.194 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' LYS . 6.2 tppt? -73.48 158.27 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.585 HG13 HD11 ' A' ' 42' ' ' ILE . 78.7 t -127.48 125.99 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.625 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 4.0 m-85 -111.9 102.63 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.46 ' C ' HD23 ' A' ' 6' ' ' LEU . 6.0 mtm180 -81.15 104.57 11.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 5' ' ' ARG . 8.4 mt -104.76 121.53 43.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.655 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -82.66 117.89 22.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 7' ' ' TYR . 4.2 mp -123.81 178.91 5.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -97.6 164.36 12.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.35 -37.57 87.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.35 -47.88 80.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -74.92 -43.62 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 47' ' ' ILE . 14.6 tp -59.03 -47.43 85.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -44.56 -47.56 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -42.76 96.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 21' ' ' LYS . 22.9 t -58.37 -45.96 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HG3' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -58.06 -41.6 83.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 p -59.08 -31.16 68.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.15 -20.72 30.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.22 -47.89 24.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.648 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -65.98 118.48 9.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -135.56 -45.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.92 112.77 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' OE2' ' CE1' ' A' ' 105' ' ' PHE . 1.5 pm0 -108.44 113.86 27.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.429 HG11 HG11 ' A' ' 63' ' ' VAL . 14.7 m -102.43 141.65 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -165.42 -60.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -174.75 150.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.93 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -89.18 53.98 2.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -45.27 158.13 0.32 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.85 21.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -1.63 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 29' ' ' TYR . 23.1 mt -118.27 -54.24 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.83 -36.03 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -51.63 -36.58 46.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.625 ' CD1' ' CD2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -41.22 156.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' C ' HG11 ' A' ' 51' ' ' VAL . 2.2 ptmt -167.16 172.14 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -58.85 132.48 54.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 1' ' ' MET . . . 109.82 -37.31 3.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.46 -175.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.692 ' CD ' HD11 ' A' ' 42' ' ' ILE . 5.8 ttmt -138.57 145.92 41.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.7 HG22 ' CE1' ' A' ' 43' ' ' PHE . 91.8 mt -124.28 126.22 71.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.692 HD11 ' CD ' ' A' ' 40' ' ' LYS . 1.6 mm -108.82 118.35 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.7 ' CE1' HG22 ' A' ' 41' ' ' ILE . 7.9 m-85 -94.62 122.2 36.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 m120 60.35 19.14 8.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.6 t0 49.04 67.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 tp -169.06 -49.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.536 HD12 HD11 ' A' ' 13' ' ' LEU . 6.5 mt -102.35 110.89 63.81 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.53 41.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.654 ' HB1' ' HD2' ' A' ' 105' ' ' PHE . . . -151.16 155.24 38.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -115.17 145.04 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.488 HG11 ' C ' ' A' ' 36' ' ' LYS . 98.4 t -81.37 115.18 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.57 -49.49 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.44 149.81 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.0 137.85 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.93 167.09 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HG3' HD12 ' A' ' 101' ' ' LEU . 16.0 tttt -129.97 155.24 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 56.8 m-85 -158.58 -175.15 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -124.53 166.7 15.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.2 p 46.05 -164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -108.51 -44.35 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -51.77 -39.88 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -53.11 61.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.474 ' CG2' ' CG1' ' A' ' 100' ' ' VAL . 42.0 t -67.04 -32.79 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.584 HD23 HD11 ' A' ' 69' ' ' ILE . 6.7 mp -74.62 -17.85 60.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -91.35 -41.59 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.2 -53.56 12.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -105.11 157.78 33.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.54 14.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.792 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.584 HD11 HD23 ' A' ' 64' ' ' LEU . 61.7 mt -105.78 -34.32 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.16 -31.11 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -79.29 -45.62 19.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.554 HG22 ' HD1' ' A' ' 73' ' ' PHE . 63.7 mt -64.62 -56.17 17.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' HD1' HG22 ' A' ' 72' ' ' ILE . 2.1 m-85 -120.01 126.07 27.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.79 14.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.13 -13.8 41.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 3.4 mtmt 51.95 63.89 8.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.457 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -177.78 3.71 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.6 m -105.97 155.18 19.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.9 -40.15 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.93 -48.82 22.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -43.91 83.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -55.23 -38.23 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -43.86 86.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 87' ' ' HIS . 0.3 OUTLIER -67.94 -58.97 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.77 -48.47 4.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 3.3 m-85 -60.27 -38.84 84.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -73.06 -49.63 27.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.43 -21.53 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -26.03 61.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -137.22 93.81 12.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -53.43 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.773 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' HB3' ' CE3' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -55.67 176.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.454 ' HB3' ' CD1' ' A' ' 96' ' ' TYR . 18.8 m-90 61.06 80.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 108.034 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -68.15 128.56 36.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 46.15 71.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 96' ' ' TYR . 0.6 OUTLIER -171.81 144.7 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -171.89 164.75 6.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.44 ' O ' ' CG ' ' A' ' 98' ' ' TYR . 9.1 p90 -172.16 132.37 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.49 -111.38 0.59 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.474 ' CG1' ' CG2' ' A' ' 63' ' ' VAL . 21.7 t 66.26 55.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.764 . . . . 0.0 109.36 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.93 HD13 ' HB2' ' A' ' 28' ' ' ALA . 2.8 tp -110.18 122.37 47.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.64 105.22 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.1 mt -94.56 123.7 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -103.13 113.59 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.654 ' HD2' ' HB1' ' A' ' 49' ' ' ALA . 7.6 p90 -127.6 156.76 41.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -126.46 113.85 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -55.55 135.54 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -97.67 98.08 9.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 164.18 -78.12 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -65.16 163.81 14.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 0.0 110.269 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.46 153.97 20.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.1 177.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ttt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.54 0.209 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.7 tttt -92.73 165.21 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.413 HG13 ' CG1' ' A' ' 42' ' ' ILE . 64.5 t -122.61 130.2 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -119.38 111.99 18.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -88.97 102.41 15.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -102.14 119.51 38.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.574 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -82.39 117.59 22.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.2 mp -122.02 178.09 5.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.84 164.31 12.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.31 -35.16 79.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.8 -49.9 75.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -77.04 -46.92 22.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 47' ' ' ILE . 18.1 tp -53.73 -44.19 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -47.05 -33.26 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.479 ' CE ' ' CG ' ' A' ' 74' ' ' PRO . 8.0 mtt -70.65 -47.19 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.599 HG11 ' CD2' ' A' ' 43' ' ' PHE . 46.1 t -60.28 -47.4 92.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -45.4 71.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 p -59.9 -34.78 73.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.59 -19.39 33.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -49.53 -34.91 18.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -78.95 116.78 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -45.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.422 HD12 ' HB3' ' A' ' 71' ' ' LYS . 3.2 mp -98.21 121.09 48.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -102.07 110.78 22.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.8 104.69 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' C ' HG22 ' A' ' 27' ' ' VAL . 8.6 ttt180 -142.05 69.14 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.499 HG22 ' C ' ' A' ' 26' ' ' ARG . 30.9 m 46.16 -170.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.02 24.98 8.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -41.64 155.26 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.99 82.78 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.8 -55.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.685 ' O ' HG22 ' A' ' 35' ' ' ILE . 7.6 mt -98.39 -28.01 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -32.38 17.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -66.48 -31.78 72.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -40.16 154.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HA ' HG11 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -155.88 172.39 18.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.72 138.15 56.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.16 -21.82 32.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.095 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.531 ' HB2' HG21 ' A' ' 51' ' ' VAL . 15.8 m-20 -73.48 -179.58 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.548 ' HD3' HD11 ' A' ' 42' ' ' ILE . 6.6 tttp -135.01 148.21 49.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.7 mt -129.21 142.45 43.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.548 HD11 ' HD3' ' A' ' 40' ' ' LYS . 1.8 mm -120.62 106.72 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CD2' HG11 ' A' ' 16' ' ' VAL . 31.7 m-85 -81.15 123.98 28.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 6.2 m120 60.25 15.98 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.6 t0 50.65 62.44 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.8 tp -165.1 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.553 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.0 mt -106.95 110.87 63.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.36 42.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.443 1.759 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.19 150.78 31.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -116.83 143.8 45.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 39' ' ' ASP . 12.6 t -77.01 118.09 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -84.99 -47.28 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -170.17 146.78 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 36' ' ' LYS . 4.3 p -124.14 137.11 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -140.1 142.42 36.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -114.27 152.69 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 66' ' ' GLU . 45.2 m-85 -158.62 -170.92 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.5 pt-20 -131.85 138.88 48.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.764 ' N ' HG21 ' A' ' 100' ' ' VAL . 2.1 m 78.64 145.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.501 ' O ' HD23 ' A' ' 64' ' ' LEU . 51.8 p90 -67.22 -39.27 86.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -55.46 -40.71 71.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -57.74 -55.18 38.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.517 HG23 ' CG1' ' A' ' 100' ' ' VAL . 39.6 t -66.64 -32.51 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.941 HD12 HD11 ' A' ' 69' ' ' ILE . 2.3 mm? -67.26 -29.2 68.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -87.85 -39.16 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 57' ' ' TYR . 1.1 tm-20 -63.54 -54.13 40.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -107.04 157.45 35.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.08 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 172.97 15.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.811 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.941 HD11 HD12 ' A' ' 64' ' ' LEU . 5.2 mt -104.8 -26.15 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -30.7 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -81.95 -59.75 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.522 HG22 ' CD2' ' A' ' 73' ' ' PHE . 82.3 mt -40.9 -47.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.522 ' CD2' HG22 ' A' ' 72' ' ' ILE . 57.9 m-85 -135.23 147.62 63.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.479 ' CG ' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.97 -30.44 7.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 76' ' ' LYS . 2.2 m-20 -61.17 -14.98 28.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 32.85 63.45 1.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 -170.56 0.8 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.508 1.794 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.8 m -99.58 156.94 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.13 -38.45 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.48 -38.35 62.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -46.7 67.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 -35.59 73.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -34.58 78.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -72.54 -45.62 58.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -40.79 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -84.81 53.15 2.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.49 -49.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -53.06 -50.18 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -52.6 167.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.599 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 34.4 p90 -37.07 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 89' ' ' MET . 18.3 Cg_endo -74.97 -58.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.88 166.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -47.58 131.96 14.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 108.019 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.96 -173.04 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.59 118.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 56.02 178.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 160.03 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -167.1 128.23 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.56 92.69 0.38 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.764 HG21 ' N ' ' A' ' 59' ' ' THR . 92.1 t -127.42 86.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -134.51 134.0 40.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.49 105.9 13.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.4 mt -95.66 131.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -117.81 114.64 23.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 2.7 p90 -129.76 157.48 42.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.43 113.3 19.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 107' ' ' VAL . 10.0 p -59.89 114.39 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.38 112.11 6.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 157.07 -80.91 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -56.06 162.77 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.324 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -76.62 135.84 39.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.2 172.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ttt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.495 0.188 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -93.34 160.18 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.467 HG13 ' CG1' ' A' ' 42' ' ' ILE . 76.0 t -120.17 134.83 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.464 ' HB3' HD21 ' A' ' 6' ' ' LEU . 9.6 m-85 -123.32 109.7 14.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.576 ' C ' HD23 ' A' ' 6' ' ' LEU . 7.2 mtt180 -83.48 99.57 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 5' ' ' ARG . 4.2 mt -99.79 119.27 37.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.449 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.7 m-85 -82.73 118.94 23.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.509 HD22 ' CD1' ' A' ' 43' ' ' PHE . 1.2 mp -121.6 166.53 14.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.96 156.28 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -27.5 68.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.94 -50.81 53.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -77.61 -43.58 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.802 HD22 ' ND2' ' A' ' 44' ' ' ASN . 12.5 tp -53.23 -45.54 68.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -45.7 59.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -35.61 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.444 HG11 ' CD2' ' A' ' 43' ' ' PHE . 61.9 t -73.29 -45.99 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -33.96 60.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 p -75.28 -32.8 61.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 110.042 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.9 19.74 12.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -76.34 -34.56 58.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.05 148.41 34.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.55 -44.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 36.5 mt -111.62 123.04 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -105.39 124.87 50.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 101' ' ' LEU . 1.5 p -132.52 118.89 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.48 57.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.885 HG11 ' CE1' ' A' ' 29' ' ' TYR . 8.4 t 67.05 160.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.595 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -104.28 32.97 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.885 ' CE1' HG11 ' A' ' 27' ' ' VAL . 22.4 m-85 -48.26 154.57 1.06 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.01 2.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -168.92 -46.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.594 ' O ' HG22 ' A' ' 35' ' ' ILE . 7.2 mt -110.97 -29.08 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HE3' ' CA ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -48.63 -35.74 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CA ' ' HE3' ' A' ' 33' ' ' LYS . 6.7 t0 -57.17 -35.55 69.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -40.79 155.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -162.82 169.25 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -59.34 135.12 57.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.71 -18.47 34.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.42 -176.09 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.478 ' CD ' HD11 ' A' ' 42' ' ' ILE . 4.2 tttt -137.18 141.74 42.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.561 HG23 ' HG ' ' A' ' 6' ' ' LEU . 9.7 mt -126.99 131.58 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.478 HD11 ' CD ' ' A' ' 40' ' ' LYS . 2.8 mm -112.41 122.77 67.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' CD1' HD22 ' A' ' 8' ' ' LEU . 28.8 m-85 -93.73 129.09 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.802 ' ND2' HD22 ' A' ' 13' ' ' LEU . 3.9 m120 57.45 18.34 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t0 48.26 64.34 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -167.66 -43.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.46 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.6 mp -104.92 110.74 64.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 154.29 42.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.13 146.5 26.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -109.73 144.48 38.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.503 HG22 ' CD1' ' A' ' 41' ' ' ILE . 46.3 t -77.56 120.47 28.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 106' ' ' ARG . 16.0 t -86.94 -50.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -172.46 143.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.724 HG22 HG12 ' A' ' 103' ' ' ILE . 15.8 t -108.73 142.93 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.96 134.18 36.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HE3' ' CB ' ' A' ' 28' ' ' ALA . 22.2 tttt -129.0 141.9 51.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.479 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 47.9 m-85 -133.4 175.59 9.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 59' ' ' THR . 8.8 pt-20 -84.47 -46.12 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.615 HG23 ' HG3' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -122.89 147.78 46.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.386 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.487 ' N ' HG21 ' A' ' 100' ' ' VAL . 6.9 p90 -65.02 -32.88 74.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.615 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -50.9 -36.86 40.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.427 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -75.07 -39.87 60.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.831 HG21 HG13 ' A' ' 100' ' ' VAL . 74.1 t -51.66 -32.21 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mp -81.89 -25.51 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' GLN . 3.6 mmt85 -71.92 -47.67 50.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' CG ' ' OH ' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -82.2 -57.62 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -84.08 146.94 49.66 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.99 173.64 14.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.556 1.819 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 33.2 mt -105.43 -36.07 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.41 -43.2 79.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -65.8 -49.8 66.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.3 mt -57.48 -52.38 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -129.74 131.06 23.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.71 13.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.74 -18.07 19.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 55.6 mttt 50.92 64.36 8.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -172.79 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.2 m -106.26 152.01 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.76 -40.19 13.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -38.98 61.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -66.67 -52.22 47.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.84 -36.03 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 84' ' ' LYS . 0.4 OUTLIER -61.17 -45.52 94.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.572 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -72.49 -48.28 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -49.07 40.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -77.85 61.61 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.5 t60 170.87 -49.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.592 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.73 85.3 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.7 ptm 179.77 158.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 50.55 99.21 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -32.57 5.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.57 69.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -179.1 -67.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.88 105.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.64 150.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -105.49 59.72 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 167.76 114.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.344 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 -50.34 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.554 ' HA3' HG13 ' A' ' 27' ' ' VAL . . . 154.29 163.78 12.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.831 HG13 HG21 ' A' ' 63' ' ' VAL . 46.9 t -124.62 112.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.595 HD23 ' HB2' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -159.44 143.58 15.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.462 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -138.17 111.01 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.724 HG12 HG22 ' A' ' 54' ' ' VAL . 54.0 mt -109.37 133.2 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -110.32 114.69 28.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 9.8 p90 -124.24 154.64 39.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.475 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -122.65 111.42 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.248 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.78 125.53 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.99 117.53 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 138.56 -90.86 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -50.43 155.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.35 148.97 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -54.25 178.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.509 0.195 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.5 155.82 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.69 HG13 HG12 ' A' ' 42' ' ' ILE . 74.0 t -120.19 124.25 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.585 ' CE2' HD12 ' A' ' 35' ' ' ILE . 4.3 m-85 -110.98 108.9 18.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -83.24 99.16 9.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -103.5 121.73 43.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.634 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -83.49 118.72 23.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.1 mp -123.28 171.47 9.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.94 156.99 16.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -32.32 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.69 -53.07 60.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -75.03 -44.82 45.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.624 HD11 HD12 ' A' ' 47' ' ' ILE . 11.5 tp -54.67 -42.16 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.17 -41.46 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . 0.402 ' SD ' ' CG ' ' A' ' 74' ' ' PRO . 4.0 mtt -60.68 -49.34 77.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 21' ' ' LYS . 58.0 t -57.48 -51.39 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HG2' HD13 ' A' ' 47' ' ' ILE . 2.2 mmtt -51.43 -40.08 58.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.5 p -69.95 -28.15 65.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.21 -26.71 22.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -42.42 -36.19 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HB3' HG22 ' A' ' 16' ' ' VAL . 1.3 tptt -75.29 110.2 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -45.67 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.1 mt -101.19 122.36 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -101.54 114.51 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -104.87 125.24 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -167.57 75.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.806 HG23 ' N ' ' A' ' 28' ' ' ALA . 1.4 m 36.96 -153.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.806 ' N ' HG23 ' A' ' 27' ' ' VAL . . . -143.2 53.02 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.494 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -80.41 173.83 7.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.03 164.04 34.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.11 -0.97 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -140.88 -56.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -29.62 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.27 -32.13 73.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.585 HD12 ' CE2' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -40.25 153.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.481 ' O ' HG11 ' A' ' 51' ' ' VAL . 3.5 ptmt -161.37 -179.19 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -73.18 141.73 47.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.78 -11.89 56.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -95.53 174.56 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' HG2' HD11 ' A' ' 42' ' ' ILE . 4.5 ttpt -125.0 140.89 52.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.673 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.0 mt -118.88 124.82 73.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.69 HG12 HG13 ' A' ' 3' ' ' VAL . 12.4 mm -104.13 126.82 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -105.9 124.91 50.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m120 59.77 19.66 8.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.522 ' HA ' HG22 ' A' ' 42' ' ' ILE . 61.5 t0 44.82 67.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -167.41 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 HD11 ' A' ' 13' ' ' LEU . 5.6 mt -103.78 110.52 64.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.83 41.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.16 150.16 30.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -112.95 139.94 48.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.673 HG22 ' CD1' ' A' ' 41' ' ' ILE . 13.9 t -73.86 121.11 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 14.5 t -86.93 -47.8 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -174.47 147.37 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.9 t -125.92 132.54 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 140.32 41.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -109.24 149.31 29.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.467 ' O ' HG13 ' A' ' 100' ' ' VAL . 87.8 m-85 -143.84 176.45 9.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -104.92 136.08 45.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.6 m 63.5 130.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 35.3 p90 -60.56 -42.1 95.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.644 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -53.39 -46.73 69.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.95 -43.78 77.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 57' ' ' TYR . 4.3 t -56.81 -29.11 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.74 -24.44 49.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -80.68 -42.73 21.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.49 -58.38 3.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -84.65 153.84 61.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.44 14.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.433 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 33.7 mt -110.1 -34.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -51.56 -48.59 63.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -64.48 -56.56 13.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.5 mt -48.59 -52.63 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -132.3 125.08 19.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.402 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.96 -20.82 16.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.34 -23.5 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 6.1 mtmt 62.32 64.21 1.8 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 m -100.6 153.22 19.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -46.78 -41.44 15.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.04 -46.19 36.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -57.24 -50.67 72.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -56.45 -37.16 69.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -41.19 95.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -71.52 -53.81 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.84 -47.65 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 4.1 m-85 -55.74 134.74 51.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.481 ' CB ' ' O ' ' A' ' 86' ' ' PHE . 0.8 OUTLIER 86.85 -46.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.12 163.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 90' ' ' TYR . 38.2 mtm 63.85 -178.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.414 ' O ' ' O ' ' A' ' 89' ' ' MET . 76.2 m-85 56.13 160.27 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 76.51 3.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.17 119.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 24.2 p90 -154.73 149.01 26.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.045 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 77.82 130.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.21 146.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -91.71 156.81 17.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.98 -172.72 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -99.6 143.98 29.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 27' ' ' VAL . . . 158.67 126.01 0.84 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 57' ' ' TYR . 7.0 p -176.75 65.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.557 HD12 ' CB ' ' A' ' 28' ' ' ALA . 1.2 tt -125.2 133.37 52.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -112.72 106.36 14.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.462 HG13 HD22 ' A' ' 101' ' ' LEU . 38.0 mt -97.7 132.73 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.71 114.09 25.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -126.62 153.25 45.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.472 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 1.1 ttt180 -123.61 111.69 16.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.92 126.85 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.6 132.98 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.34 -84.27 0.28 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.2 165.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.67 138.38 41.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -63.71 175.25 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.528 0.204 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -77.16 157.48 30.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.66 141.79 28.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -133.7 119.61 19.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 mtm-85 -91.92 109.49 20.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 mt -106.76 121.57 44.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.836 ' C ' HD12 ' A' ' 8' ' ' LEU . 5.9 m-85 -81.87 117.49 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.836 HD12 ' C ' ' A' ' 7' ' ' TYR . 7.3 mp -126.97 162.45 25.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -93.02 151.47 19.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -29.19 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.63 -53.14 56.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.5 m-85 -77.92 -41.22 37.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 44' ' ' ASN . 4.3 tp -57.13 -42.13 80.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -46.52 -49.17 18.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -45.42 82.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -58.58 -40.93 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -51.04 67.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -59.74 -21.57 60.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 21' ' ' LYS . . . 96.77 -22.54 39.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -42.79 -29.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -86.54 117.17 25.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.29 -45.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' A' ' 67' ' ' GLU . 8.5 mt -103.84 121.81 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -101.05 111.1 23.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 72' ' ' ILE . 57.8 t -101.85 136.05 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.72 146.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.1 t -40.07 128.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -70.29 61.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -77.82 159.56 76.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.96 80.57 2.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -161.27 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -137.72 13.29 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -85.89 -24.27 26.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -79.16 -24.81 43.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.66 HD13 HD11 ' A' ' 41' ' ' ILE . 5.4 tt -43.03 159.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -158.68 173.94 15.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 9.2 ttt180 -57.8 140.59 51.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.02 -21.17 32.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.64 178.6 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HG2' HD11 ' A' ' 42' ' ' ILE . 18.8 ttpt -134.17 148.97 51.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.66 HD11 HD13 ' A' ' 35' ' ' ILE . 52.5 mt -131.45 129.79 62.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.46 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.3 mm -106.76 113.68 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -88.44 125.22 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.566 ' HB2' HD13 ' A' ' 13' ' ' LEU . 2.2 m120 63.25 16.13 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.68 64.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.16 -42.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.524 HD12 HD11 ' A' ' 13' ' ' LEU . 10.2 mt -110.2 110.61 58.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.45 41.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.13 145.33 25.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.447 ' HB2' HD21 ' A' ' 108' ' ' LEU . 9.4 tt0 -108.32 138.37 44.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.7 t -75.79 121.98 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.8 t -86.21 -48.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.08 143.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -128.7 132.25 67.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -143.23 151.67 40.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -107.11 151.22 25.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.675 ' CD2' HG22 ' A' ' 63' ' ' VAL . 53.8 m-85 -130.01 -170.66 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.731 ' O ' HG21 ' A' ' 100' ' ' VAL . 3.3 mm-40 -88.31 -109.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 p -85.09 150.0 25.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.512 ' CZ ' ' O ' ' A' ' 99' ' ' GLY . 94.6 m-85 -43.63 -41.21 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -41.02 60.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.88 -42.8 89.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' A' ' 57' ' ' TYR . 40.9 t -60.98 -43.56 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.685 ' HG ' HD11 ' A' ' 69' ' ' ILE . 8.5 mp -64.1 -22.81 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -83.54 -44.29 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -67.59 -57.17 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.284 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' OE2' ' CG1' ' A' ' 63' ' ' VAL . 5.5 pt-20 -106.16 152.86 40.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.02 15.23 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.685 HD11 ' HG ' ' A' ' 64' ' ' LEU . 9.1 mt -106.25 -32.53 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.502 ' OD2' ' CE ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -49.78 -32.85 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -77.32 -50.82 12.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.467 HD13 HG21 ' A' ' 25' ' ' VAL . 62.5 mt -57.51 -40.14 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 72' ' ' ILE . 29.6 m-85 -145.94 127.9 7.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.82 17.41 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -23.9 57.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.502 ' CE ' ' OD2' ' A' ' 70' ' ' ASP . 6.6 mttp 56.51 69.38 1.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.03 -169.85 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 m -110.7 150.76 28.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -41.83 16.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -37.51 63.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.66 -48.54 76.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.39 -34.06 60.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -46.51 63.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.23 -56.57 12.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.52 -41.9 10.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -90.51 45.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -165.23 -43.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.76 -52.83 58.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.7 mtm -44.33 -41.05 5.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 12.7 p90 -142.08 96.98 6.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 95.56 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.11 90.82 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.81 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 108.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -55.5 154.55 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 51.38 102.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 69.12 -177.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -138.7 -174.24 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.512 ' O ' ' CZ ' ' A' ' 60' ' ' PHE . . . -171.55 109.06 0.3 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.731 HG21 ' O ' ' A' ' 58' ' ' GLU . 1.9 p -175.51 108.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.705 HD12 HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -159.59 129.49 5.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -110.22 104.78 13.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.705 HG13 HD12 ' A' ' 101' ' ' LEU . 8.8 mt -99.85 119.29 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -107.96 109.46 20.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 3.1 p90 -125.63 155.8 40.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -125.75 128.36 47.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.6 122.15 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 50' ' ' GLU . 2.6 mt -74.14 112.57 10.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 139.07 -92.58 0.2 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 111' ' ' ASP . 22.4 ttt85 -40.61 152.32 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -77.26 151.14 35.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 175.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.965 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.495 0.188 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -105.72 158.96 16.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.572 HG13 ' CG1' ' A' ' 42' ' ' ILE . 77.5 t -119.02 128.41 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 35' ' ' ILE . 6.1 m-85 -118.06 102.4 9.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -78.33 104.18 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.83 122.25 46.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -85.31 116.94 23.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.461 HD22 ' HD1' ' A' ' 43' ' ' PHE . 1.1 mp -119.63 174.71 6.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.92 150.19 21.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.81 -32.45 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.07 -54.6 35.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.3 m-30 -72.66 -45.25 59.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.664 HD22 ' ND2' ' A' ' 44' ' ' ASN . 13.1 tp -52.9 -43.0 65.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -46.38 -48.52 18.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -56.98 -41.58 78.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.697 HG22 ' HB3' ' A' ' 21' ' ' LYS . 92.2 t -64.15 -37.28 79.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG2' HD13 ' A' ' 47' ' ' ILE . 3.2 mmtt -64.83 -40.68 95.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -34.9 74.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.28 -12.8 26.13 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.83 -33.67 50.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.697 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -84.4 109.74 18.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.73 -43.41 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.85 118.48 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -100.94 111.24 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -98.25 129.53 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -173.93 147.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 m -40.56 121.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.39 -84.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER 56.49 160.21 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.95 164.95 32.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 83.77 -9.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.3 mt -138.7 -59.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -48.57 -29.64 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -34.69 72.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -40.34 154.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.27 173.89 15.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -66.78 140.68 57.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.2 -24.7 30.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -72.1 -175.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.741 ' HG2' HD11 ' A' ' 42' ' ' ILE . 12.4 ttpt -137.47 144.48 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.486 ' C ' HD13 ' A' ' 42' ' ' ILE . 94.4 mt -124.7 125.99 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.7 mm -104.12 111.38 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.461 ' HD1' HD22 ' A' ' 8' ' ' LEU . 67.3 m-85 -88.06 126.59 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.664 ' ND2' HD22 ' A' ' 13' ' ' LEU . 4.8 m120 60.6 15.77 5.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 49.13 62.65 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.96 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.422 HD13 ' HG2' ' A' ' 17' ' ' LYS . 4.4 mt -109.07 110.7 60.69 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.03 41.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.08 146.48 26.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -109.05 137.93 46.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.5 t -72.21 116.53 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 106' ' ' ARG . 13.7 t -78.82 -51.18 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -165.11 146.09 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -118.45 129.98 73.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 139.02 34.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HA ' HD22 ' A' ' 101' ' ' LEU . 7.1 tttp -110.99 146.53 36.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HB3' ' CG ' ' A' ' 62' ' ' GLN . 16.3 m-85 -154.55 -170.88 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 6.8 pt-20 -136.06 147.48 47.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.766 ' N ' HG21 ' A' ' 100' ' ' VAL . 3.6 m 69.14 124.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 18.8 p90 -48.83 -35.03 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.521 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -56.52 -35.58 68.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.472 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 22.8 tp60 -62.0 -55.43 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.676 HG23 ' CG1' ' A' ' 100' ' ' VAL . 9.1 t -61.24 -32.53 53.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.492 HD22 ' HD1' ' A' ' 60' ' ' PHE . 5.7 mp -74.7 -24.96 58.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.33 -45.24 20.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -51.59 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -98.85 147.37 33.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.3 14.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 3.4 mt -101.21 -34.29 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.14 -29.75 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -86.19 -60.03 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 89.9 mt -47.16 -39.93 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.54 141.05 37.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -42.51 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.69 -17.02 19.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 pttt 43.4 65.79 5.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.799 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -95.09 153.09 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -47.1 -40.42 15.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -38.15 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -37.09 81.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.06 86.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -62.75 -45.52 92.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -69.6 -47.76 62.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -48.23 -45.7 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.766 HG21 ' N ' ' A' ' 59' ' ' THR . 90.4 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.643 HD12 HG13 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -121.69 126.16 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.626 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -101.67 104.89 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.643 HG13 HD12 ' A' ' 101' ' ' LEU . 7.0 mt -96.94 118.51 43.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.73 113.11 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 1.9 p90 -126.42 153.08 45.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.628 ' HB2' HG22 ' A' ' 52' ' ' VAL . 1.8 ttp180 -121.25 109.61 15.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.4 p -53.1 135.17 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.72 130.51 38.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.401 ' CE ' ' HE2' ' A' ' 40' ' ' LYS . 15.4 ttt . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.486 0.184 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -71.7 159.91 33.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.574 HG13 HD11 ' A' ' 42' ' ' ILE . 53.8 t -118.63 129.9 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.48 ' CG ' HD12 ' A' ' 35' ' ' ILE . 17.8 m-85 -118.73 113.69 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -89.55 107.03 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.527 ' HG ' HG23 ' A' ' 41' ' ' ILE . 13.4 mt -105.34 125.76 51.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.522 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.5 m-85 -84.0 117.59 23.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 7' ' ' TYR . 1.7 mp -121.68 171.5 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 4.0 mttm -99.17 145.24 27.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -27.65 1.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.44 -48.95 65.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -80.75 -39.39 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.589 HD22 HD22 ' A' ' 44' ' ' ASN . 13.8 tp -58.86 -40.82 85.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.47 -45.29 36.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mtt -60.68 -40.24 91.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.637 HG22 ' HB3' ' A' ' 21' ' ' LYS . 68.7 t -67.22 -41.54 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -59.99 -39.9 87.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.6 p -63.0 -30.15 71.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.35 -13.48 54.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -59.75 -52.27 66.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.637 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -55.8 99.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.48 -47.88 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 25' ' ' VAL . 3.7 mp -96.5 129.39 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -113.95 111.02 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 25' ' ' VAL . 8.8 m -121.37 103.06 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -145.57 59.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 t 62.18 141.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -63.36 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.16 153.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -74.99 165.33 31.55 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 80.98 -5.43 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.691 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -140.45 -59.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -36.97 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -34.92 66.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.691 HG22 ' O ' ' A' ' 32' ' ' LEU . 1.1 tt -41.19 156.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.08 171.09 21.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 144.96 52.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.51 -18.92 49.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.1 m-20 -86.47 177.91 7.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -132.82 144.2 50.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.527 HG23 ' HG ' ' A' ' 6' ' ' LEU . 19.4 mt -124.71 131.8 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.574 HD11 HG13 ' A' ' 3' ' ' VAL . 1.1 mm -106.59 116.73 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.616 ' CD2' HG11 ' A' ' 16' ' ' VAL . 50.7 m-85 -86.61 119.84 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.589 HD22 HD22 ' A' ' 13' ' ' LEU . 2.8 m-20 65.08 13.32 8.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 64.2 t0 54.73 59.69 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.32 -45.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.439 HD12 HD11 ' A' ' 13' ' ' LEU . 6.1 mt -104.29 110.67 64.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.45 42.59 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.12 145.13 25.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -109.78 139.14 45.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 39' ' ' ASP . 11.8 t -72.3 127.23 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.33 -45.53 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.97 151.02 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG23 HG12 ' A' ' 103' ' ' ILE . 11.6 p -116.38 136.21 54.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.732 ' O ' HD13 ' A' ' 101' ' ' LEU . 13.7 mttp -129.47 138.35 51.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HG3' HD22 ' A' ' 101' ' ' LEU . 26.0 tttt -126.59 141.41 51.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.663 ' HB2' HG12 ' A' ' 100' ' ' VAL . 32.1 m-85 -154.28 166.46 33.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' HG21 ' A' ' 100' ' ' VAL . 2.9 mt-10 -97.91 -60.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.739 ' O ' HG11 ' A' ' 100' ' ' VAL . 16.5 m -68.3 159.71 30.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.614 ' CE1' ' CD2' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -92.37 -48.71 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.948 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -52.38 -35.94 52.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.425 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -57.13 -47.57 80.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.802 HG21 HG13 ' A' ' 100' ' ' VAL . 13.2 t -56.0 -36.09 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.23 -24.12 51.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -44.15 42.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.1 -54.44 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.64 152.4 44.97 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.96 9.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.764 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 56.3 mt -113.73 -35.48 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -57.78 -41.11 81.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -68.84 -51.19 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.551 HG22 ' CD2' ' A' ' 73' ' ' PHE . 50.7 mt -51.32 -50.24 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG22 ' A' ' 72' ' ' ILE . 39.7 m-85 -141.05 133.71 14.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -19.95 17.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.85 -23.23 63.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.41 65.46 2.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.05 167.9 25.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.4 m -93.99 154.56 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.79 -39.83 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.84 -45.62 42.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -49.4 72.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.83 65.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.2 tp -57.2 -51.5 69.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -55.86 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.8 -44.6 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.614 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 3.7 m-85 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.969 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.802 HG13 HG21 ' A' ' 63' ' ' VAL . 79.6 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -123.87 116.72 23.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.52 ' HA ' HG12 ' A' ' 25' ' ' VAL . . . -97.96 120.94 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.598 HD13 HG21 ' A' ' 35' ' ' ILE . 5.8 mt -118.19 119.85 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -98.71 117.87 34.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.544 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 3.0 p90 -132.06 148.45 52.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -118.43 122.76 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 p -65.06 134.4 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.47 157.1 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ttt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.465 0.174 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -90.99 154.59 19.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.456 HG13 ' CG1' ' A' ' 42' ' ' ILE . 40.4 t -112.77 134.29 55.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.457 ' CD2' HD12 ' A' ' 35' ' ' ILE . 12.9 m-85 -126.84 113.2 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -87.34 106.54 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.44 124.22 49.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.63 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -84.02 117.16 23.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.9 mp -122.34 165.64 15.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -89.01 146.22 25.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.25 -36.51 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.3 -52.94 63.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.551 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.5 m-30 -73.6 -45.68 51.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.693 HD11 ' CD1' ' A' ' 47' ' ' ILE . 10.1 tp -53.29 -42.88 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -44.84 -46.96 11.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.423 ' HE2' ' HG2' ' A' ' 74' ' ' PRO . 2.2 mtt -59.86 -43.31 94.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 21' ' ' LYS . 64.4 t -60.46 -39.93 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.1 -48.86 76.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 p -59.15 -35.45 73.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.96 -11.69 27.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -58.49 -32.06 68.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.723 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -84.33 111.42 19.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -129.47 -45.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.426 HD13 ' HD2' ' A' ' 68' ' ' PRO . 2.7 mp -113.55 120.45 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 5.3 pt-20 -114.63 117.22 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.834 HG12 ' HA ' ' A' ' 102' ' ' ALA . 2.2 m -121.45 141.38 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -164.56 -70.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.25 174.09 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -126.72 28.62 5.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.8 160.59 0.39 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 80.31 2.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.15 -55.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.618 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -105.79 -21.97 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -56.42 -25.53 50.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -28.57 61.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -43.7 161.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -166.7 171.52 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -62.31 141.58 58.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.39 -25.18 24.04 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -82.2 179.84 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 5.2 ttpt -134.08 148.65 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.442 ' O ' HD13 ' A' ' 42' ' ' ILE . 31.9 mt -122.21 148.98 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 45' ' ' ASP . 3.1 mm -124.02 115.3 44.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CD2' HG11 ' A' ' 16' ' ' VAL . 60.7 m-85 -91.37 124.71 35.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.3 m120 60.58 15.58 5.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.473 ' HA ' HG22 ' A' ' 42' ' ' ILE . 0.4 OUTLIER 49.63 58.95 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tp -161.01 -44.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.693 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.8 mt -104.81 110.72 64.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.99 41.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.57 147.28 27.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HB2' HD21 ' A' ' 108' ' ' LEU . 12.5 tt0 -110.87 143.99 40.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.6 t -75.17 129.41 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.527 HG21 ' HD2' ' A' ' 106' ' ' ARG . 6.4 t -99.81 -47.08 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 54' ' ' VAL . 3.2 tm-20 -160.08 164.78 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.138 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 49.6 t -150.54 132.35 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.52 156.71 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -122.34 140.96 52.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.771 ' HB2' HG12 ' A' ' 100' ' ' VAL . 63.7 m-85 -143.29 160.32 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -106.48 -16.32 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -117.05 124.92 50.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -57.23 -49.94 74.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -39.74 53.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -56.98 -38.05 72.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.411 ' CG2' HG13 ' A' ' 100' ' ' VAL . 89.1 t -63.64 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.652 HD23 HD11 ' A' ' 69' ' ' ILE . 11.0 mp -80.94 -24.63 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -74.66 -47.45 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.14 -55.69 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -91.54 153.18 44.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.652 HD11 HD23 ' A' ' 64' ' ' LEU . 27.6 mt -108.91 -32.87 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.53 -25.75 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -86.85 -52.81 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.4 mt -55.14 -42.44 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -140.78 122.47 9.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HG2' ' HE2' ' A' ' 15' ' ' MET . 18.3 Cg_endo -75.0 -20.65 16.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.08 -19.83 61.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 8.0 mtmt 62.9 64.4 1.54 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.02 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.8 m -100.86 153.66 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.9 -40.58 14.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -44.22 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -60.87 -49.26 78.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.63 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -49.38 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -52.34 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -44.09 -45.84 8.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.771 HG12 ' HB2' ' A' ' 57' ' ' TYR . 67.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.601 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -113.56 117.39 31.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.834 ' HA ' HG12 ' A' ' 25' ' ' VAL . . . -99.37 105.68 17.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.601 HG13 HD12 ' A' ' 101' ' ' LEU . 17.7 mt -102.05 123.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -102.64 128.86 49.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.3 p90 -143.15 152.03 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.527 ' HD2' HG21 ' A' ' 52' ' ' VAL . 4.1 mtt85 -123.51 126.67 47.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.65 126.48 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' A' ' 50' ' ' GLU . 1.9 mt -81.04 98.32 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.544 0.212 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' LYS . 2.1 tttp -80.03 162.65 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.533 HG13 ' CG1' ' A' ' 42' ' ' ILE . 72.9 t -124.52 122.68 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.678 ' CG ' HD12 ' A' ' 35' ' ' ILE . 35.9 m-85 -110.53 122.24 47.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 mtm-85 -94.4 101.33 13.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.487 ' HG ' HG23 ' A' ' 41' ' ' ILE . 7.6 mt -96.25 120.19 36.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.748 ' C ' HD12 ' A' ' 8' ' ' LEU . 9.4 m-85 -80.52 116.85 20.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.748 HD12 ' C ' ' A' ' 7' ' ' TYR . 8.6 mp -126.72 167.26 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.44 159.89 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.68 -36.05 71.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.59 -53.92 52.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.6 m-85 -73.87 -44.41 55.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.621 HD11 HD12 ' A' ' 47' ' ' ILE . 14.7 tp -52.8 -43.58 66.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.84 -47.89 11.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.7 mtt -58.32 -42.49 86.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.31 -37.67 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -70.17 -40.43 74.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.6 p -59.17 -24.41 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.056 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.4 -13.5 65.54 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -59.41 -47.57 84.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -63.78 126.9 29.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -45.88 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.536 HD13 ' HD2' ' A' ' 68' ' ' PRO . 5.9 mt -114.13 124.85 71.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -119.81 112.26 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.546 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 26.2 m -84.07 111.47 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.59 -170.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.424 ' O ' HG12 ' A' ' 27' ' ' VAL . 11.8 t -104.32 22.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 29' ' ' TYR . . . 54.45 -107.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER 52.44 172.2 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 87.73 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.29 -64.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.526 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -139.88 15.98 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.497 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -70.27 -26.48 63.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -74.04 -25.53 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.678 HD12 ' CG ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -41.59 152.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.62 178.94 9.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -68.47 142.99 55.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.42 -15.61 55.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.117 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.19 -162.99 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.704 ' HG2' HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -148.83 145.56 27.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.531 ' C ' HD13 ' A' ' 42' ' ' ILE . 76.5 mt -125.32 127.9 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.704 HD11 ' HG2' ' A' ' 40' ' ' LYS . 3.4 mm -106.93 106.81 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -79.48 121.94 25.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.59 13.9 6.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.458 ' HA ' HG22 ' A' ' 42' ' ' ILE . 37.6 t0 55.28 52.3 11.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.56 -46.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 13' ' ' LEU . 7.2 mt -103.14 110.82 64.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.22 42.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.18 146.48 26.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HB3' HD21 ' A' ' 108' ' ' LEU . 8.1 tt0 -107.02 139.65 41.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.27 120.65 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.12 -46.54 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -172.53 145.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.599 HG22 HG12 ' A' ' 103' ' ' ILE . 41.4 t -125.57 142.18 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.648 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -140.88 142.57 34.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -114.55 157.4 23.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.648 ' HB2' HG12 ' A' ' 100' ' ' VAL . 42.9 m-85 -156.49 172.43 18.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.04 -53.35 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.3 m -81.03 136.24 35.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 37.7 p90 -74.19 -35.29 63.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.5 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -62.43 -40.04 95.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -41.36 80.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.845 HG21 HG13 ' A' ' 100' ' ' VAL . 76.5 t -59.11 -29.2 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 69' ' ' ILE . 6.9 mp -77.38 -24.28 50.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.77 -45.44 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.35 -59.36 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.405 ' OE2' HG21 ' A' ' 23' ' ' ILE . 6.1 mm-40 -89.53 150.91 45.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.98 176.59 9.71 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.6 HD11 HD23 ' A' ' 64' ' ' LEU . 64.5 mt -111.94 -34.88 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.18 -41.0 78.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -69.86 -52.13 27.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.02 -50.54 69.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.1 126.37 24.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.33 15.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.49 -16.16 62.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt 52.75 66.88 4.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 -179.92 5.47 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 m -100.49 154.02 18.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.86 -40.52 14.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -43.77 53.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -62.28 -41.16 98.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.45 -39.14 75.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.769 HD13 ' N ' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -59.43 -50.9 72.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.769 ' N ' HD13 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -67.69 -48.26 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -49.03 61.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 25' ' ' VAL . 4.2 m-85 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.845 HG13 HG21 ' A' ' 63' ' ' VAL . 83.7 t . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 55' ' ' LYS . 1.2 tt -147.71 131.49 17.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.414 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -107.24 113.0 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.599 HG12 HG22 ' A' ' 54' ' ' VAL . 24.4 mt -113.43 127.92 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -112.6 112.8 24.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 8.1 p90 -122.78 150.66 42.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.82 109.14 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.65 126.12 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 50' ' ' GLU . 5.0 mt -91.92 106.37 18.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tmm? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.525 0.202 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 163.42 28.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.587 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 75.8 t -130.08 137.23 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -120.12 122.98 42.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 mtm-85 -91.89 105.31 17.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -102.15 117.76 35.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.698 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -80.64 117.62 21.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 7' ' ' TYR . 6.2 mp -123.16 175.44 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 20.9 mmtm -96.09 156.0 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -26.94 66.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.93 -46.8 67.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -80.33 -43.3 21.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.655 HD13 ' OD1' ' A' ' 44' ' ' ASN . 10.2 tp -57.18 -41.0 78.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -49.23 -47.21 46.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -39.83 79.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' ' 21' ' ' LYS . 98.7 t -66.12 -37.12 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -45.94 90.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.5 p -59.79 -25.98 65.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.39 -0.97 63.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -67.86 -32.72 73.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.631 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -80.14 106.62 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.96 -38.33 4.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.433 HD13 ' HD2' ' A' ' 68' ' ' PRO . 5.1 mt -111.95 125.4 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -100.94 111.09 23.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.89 HG21 HD13 ' A' ' 72' ' ' ILE . 3.3 t -94.37 112.55 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.47 139.44 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 27' ' ' VAL . 23.2 m -45.15 109.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.981 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -42.13 -82.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER 57.66 160.48 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 83.68 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.96 -62.04 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.241 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -135.96 12.82 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -71.71 -33.4 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.66 -25.64 60.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 32' ' ' LEU . 10.9 tt -42.68 163.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -170.84 169.06 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -49.86 142.63 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.65 -30.51 9.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -74.73 -176.6 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.781 ' HD3' HD11 ' A' ' 42' ' ' ILE . 6.3 tttt -139.43 140.71 37.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.62 ' CD1' HG22 ' A' ' 51' ' ' VAL . 6.4 mt -119.48 142.84 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.781 HD11 ' HD3' ' A' ' 40' ' ' LYS . 3.0 mm -121.21 119.54 59.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CD2' HG11 ' A' ' 16' ' ' VAL . 45.4 m-85 -95.17 125.98 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 13' ' ' LEU . 7.7 m120 60.99 15.63 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.5 t0 49.08 59.15 4.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -46.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.4 mt -100.84 110.37 60.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.29 42.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.811 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.9 153.51 35.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.687 ' HB2' HD21 ' A' ' 108' ' ' LEU . 12.6 tt0 -114.07 146.75 39.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.62 HG22 ' CD1' ' A' ' 41' ' ' ILE . 18.8 t -82.63 120.63 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.5 t -89.53 -46.68 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 54' ' ' VAL . 6.5 tp10 -170.61 152.59 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.827 HG23 HG12 ' A' ' 103' ' ' ILE . 5.3 p -121.69 138.7 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 144.73 47.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -133.99 148.16 51.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.415 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 80.0 m-85 -159.11 177.14 11.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.6 mt-10 -105.24 137.0 43.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.503 ' O ' HG21 ' A' ' 100' ' ' VAL . 1.6 m 78.29 164.22 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.435 ' O ' HD13 ' A' ' 64' ' ' LEU . 71.0 m-85 -83.89 -44.05 14.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -52.06 -44.04 64.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 29.2 tp60 -54.19 -54.3 41.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.582 ' CG2' HG23 ' A' ' 100' ' ' VAL . 3.6 t -61.29 -38.3 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 60' ' ' PHE . 8.5 mp -64.36 -31.38 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -81.25 -39.01 25.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.35 -54.54 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG3' ' HB1' ' A' ' 102' ' ' ALA . 5.9 mm-40 -103.75 156.92 34.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.424 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 52.0 mt -113.13 -38.02 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.05 -31.01 60.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -79.04 -55.09 5.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.89 HD13 HG21 ' A' ' 25' ' ' VAL . 54.5 mt -50.74 -51.45 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -130.73 128.31 22.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.33 16.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.41 -21.04 61.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 13.9 mtmt 58.17 65.02 3.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.7 m -105.44 154.61 20.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.83 -37.67 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -74.21 -45.23 49.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -55.47 -45.37 76.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.64 69.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -51.34 64.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -66.19 -57.91 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -44.16 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.582 HG23 ' CG2' ' A' ' 63' ' ' VAL . 2.3 p . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.981 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 6.3 tp -145.76 132.91 20.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' HB1' ' HG3' ' A' ' 67' ' ' GLU . . . -115.5 105.43 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.827 HG12 HG23 ' A' ' 54' ' ' VAL . 36.9 mt -99.72 130.65 48.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -105.88 122.03 45.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -135.41 155.94 49.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.25 116.58 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -57.98 127.15 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 50' ' ' GLU . 1.3 mt -82.88 99.29 9.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.98 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.516 0.198 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -89.24 155.41 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 42' ' ' ILE . 71.7 t -111.63 123.97 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -112.79 113.06 24.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -90.67 102.16 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.94 132.13 50.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.571 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.5 m-85 -88.53 117.0 27.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 7' ' ' TYR . 2.2 mp -120.12 172.56 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 3.7 mttp -95.85 154.02 17.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.36 -34.15 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.08 -49.66 76.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.558 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -76.83 -45.28 29.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.825 HD11 HD12 ' A' ' 47' ' ' ILE . 14.3 tp -56.29 -40.4 74.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.07 -48.51 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.19 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 21' ' ' LYS . 70.8 t -71.73 -37.74 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.08 -44.56 95.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 p -59.22 -30.73 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.77 -9.28 55.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -58.2 -38.01 75.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.527 ' HB3' HG22 ' A' ' 16' ' ' VAL . 3.2 tptm -74.8 121.4 21.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.05 -45.66 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.527 HD13 ' HD2' ' A' ' 68' ' ' PRO . 7.6 mt -108.03 117.09 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -101.02 111.09 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.405 HG21 HD13 ' A' ' 72' ' ' ILE . 5.1 t -99.27 125.82 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.52 156.0 13.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 40.1 t -46.07 118.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -41.67 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CD1' ' HD2' ' A' ' 30' ' ' PRO . 9.8 t80 60.57 141.85 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.0 82.87 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.782 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 20.0 tp60 -171.14 -51.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 35' ' ' ILE . 3.1 mt -110.18 -24.74 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -20.65 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -74.52 -24.4 58.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.625 HG23 HG21 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -43.59 158.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.91 162.25 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -52.38 142.62 16.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 98.07 -19.97 52.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.487 ' HB2' HG21 ' A' ' 51' ' ' VAL . 3.5 m-20 -74.31 178.09 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.809 ' HD3' HD11 ' A' ' 42' ' ' ILE . 4.8 tttp -132.68 144.62 50.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.727 ' C ' HD13 ' A' ' 42' ' ' ILE . 18.0 mt -125.93 142.22 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.809 HD11 ' HD3' ' A' ' 40' ' ' LYS . 1.9 mm -120.95 109.85 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD2' HG11 ' A' ' 16' ' ' VAL . 24.5 m-85 -86.32 122.99 31.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 60.37 16.23 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.446 ' HA ' HG22 ' A' ' 42' ' ' ILE . 23.6 t0 49.3 67.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -169.11 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.825 HD12 HD11 ' A' ' 13' ' ' LEU . 31.2 mt -110.23 110.7 58.26 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.38 43.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.97 152.35 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -112.48 147.87 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' A' ' 39' ' ' ASP . 39.2 t -83.27 115.8 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.646 HG22 ' HD2' ' A' ' 106' ' ' ARG . 5.1 t -80.58 -46.58 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -170.22 141.38 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.625 HG21 HG23 ' A' ' 35' ' ' ILE . 72.0 t -127.98 128.98 69.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.0 144.95 37.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -103.74 152.74 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -153.26 176.02 12.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -114.71 149.29 37.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.54 HG22 ' HG3' ' A' ' 61' ' ' ARG . 2.4 m 63.52 133.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 32.5 p90 -67.56 -35.73 79.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.54 ' HG3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -60.62 -40.02 90.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -57.2 -50.38 73.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.533 ' CG2' HG13 ' A' ' 100' ' ' VAL . 51.8 t -60.56 -31.95 50.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mp -79.24 -14.62 58.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -89.39 -39.37 13.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.15 -62.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.249 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.53 155.93 90.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.527 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.05 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.434 HG22 ' HD2' ' A' ' 77' ' ' PRO . 85.1 mt -117.4 -39.4 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -52.01 -39.13 58.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -73.19 -53.99 9.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 68' ' ' PRO . 79.1 mt -52.83 -44.93 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -138.78 126.88 13.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -22.03 15.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -59.72 -22.14 61.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 35.6 mtmt 59.15 64.9 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD2' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.95 170.99 19.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.2 m -102.6 153.93 19.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.12 -39.8 14.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -43.35 55.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.82 78.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.16 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.753 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -58.76 -45.92 88.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.562 ' N ' HD13 ' A' ' 83' ' ' LEU . 3.2 tttt -71.09 -41.16 70.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -58.19 -46.25 86.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.533 HG13 ' CG2' ' A' ' 63' ' ' VAL . 22.3 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.651 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -159.03 119.0 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.04 105.08 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.651 HG13 HD12 ' A' ' 101' ' ' LEU . 14.0 mt -103.56 124.18 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -109.49 115.35 29.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.9 p90 -128.07 155.32 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.646 ' HD2' HG22 ' A' ' 52' ' ' VAL . 10.4 ptm180 -124.68 118.53 26.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -57.98 136.26 21.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.2 mt -99.47 79.24 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.087 . . . . 0.0 110.982 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tmm? . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.537 0.208 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -84.7 158.83 20.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.531 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 77.5 t -125.36 142.47 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -125.5 103.8 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -84.55 101.03 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.3 mt -99.15 123.11 43.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.667 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -82.32 116.8 21.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 7' ' ' TYR . 5.4 mp -121.77 174.17 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -99.08 169.22 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.52 -36.34 78.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.59 -46.28 86.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -78.74 -43.77 24.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 32.0 tp -52.85 -44.18 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -44.82 -41.84 7.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.1 mtt -62.05 -45.3 94.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.407 ' CG2' ' HE2' ' A' ' 21' ' ' LYS . 48.1 t -64.68 -43.56 96.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -40.43 97.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -59.25 -29.82 67.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.02 -8.7 59.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.133 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -64.83 -37.36 87.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HE2' ' CG2' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -75.19 107.45 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.81 -42.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.661 HD13 ' HD2' ' A' ' 68' ' ' PRO . 5.2 mt -101.79 125.9 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -100.86 111.21 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 72' ' ' ILE . 91.2 t -98.56 105.58 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 -171.59 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 29' ' ' TYR . 31.0 m -97.02 32.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . 42.36 31.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 2.8 t80 -46.25 151.63 0.93 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.04 83.46 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.65 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.748 ' H ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -105.8 -31.39 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -30.84 20.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.89 -29.2 65.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 32' ' ' LEU . 3.3 tt -43.35 164.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -164.71 170.0 16.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 2.4 ttt180 -57.83 140.91 50.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.18 -28.05 14.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.461 ' HB2' HG21 ' A' ' 51' ' ' VAL . 45.7 m-20 -73.97 -177.8 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.725 ' HG2' HD11 ' A' ' 42' ' ' ILE . 15.8 ttpt -135.95 146.72 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.439 ' C ' HD13 ' A' ' 42' ' ' ILE . 70.5 mt -128.16 125.29 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.725 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.6 mm -104.55 122.53 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' HD2' HD22 ' A' ' 8' ' ' LEU . 58.8 m-85 -94.38 116.16 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 67.1 15.07 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.1 t0 54.88 53.97 9.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.43 -50.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -100.71 110.74 61.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.71 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.2 144.8 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.429 ' HB3' HD21 ' A' ' 108' ' ' LEU . 4.3 tt0 -108.26 139.76 42.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 39' ' ' ASP . 20.4 t -73.32 118.61 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' A' ' 106' ' ' ARG . 13.0 t -83.07 -48.95 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -176.78 146.96 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 p -124.05 135.05 64.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.66 139.82 33.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -107.86 147.66 30.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 100' ' ' VAL . 42.6 m-85 -140.4 -174.31 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -111.98 124.47 52.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.494 ' N ' HG11 ' A' ' 100' ' ' VAL . 2.3 m 69.29 130.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.452 ' O ' HD23 ' A' ' 64' ' ' LEU . 2.9 m-85 -54.46 -28.95 47.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.33 -48.18 65.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HG2' ' NH2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -56.6 -48.18 77.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.648 HG23 ' CG2' ' A' ' 100' ' ' VAL . 18.8 t -59.29 -29.13 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.684 HD12 HD11 ' A' ' 69' ' ' ILE . 2.4 mm? -77.51 -16.36 58.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.406 ' NH2' ' HG2' ' A' ' 62' ' ' GLN . 0.7 OUTLIER -88.47 -43.88 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -76.15 -59.25 2.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HG2' HG21 ' A' ' 23' ' ' ILE . 22.3 mp0 -84.09 146.16 47.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.661 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 174.95 11.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.684 HD11 HD12 ' A' ' 64' ' ' LEU . 4.3 mt -111.46 -33.36 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.09 -29.75 65.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.29 -52.26 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.585 HD13 HG21 ' A' ' 25' ' ' VAL . 81.9 mt -49.71 -40.34 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 72' ' ' ILE . 29.5 m-85 -146.97 137.59 12.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -26.21 11.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -17.31 19.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 15.1 mtmt 48.08 64.21 8.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.04 -177.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -97.9 153.4 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -46.61 -41.18 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -75.13 -46.0 37.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -56.97 -52.93 63.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -50.93 -39.87 55.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.96 -34.92 71.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.86 -58.52 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -55.94 -30.7 62.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.648 ' CG2' HG23 ' A' ' 63' ' ' VAL . 2.6 p . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -158.7 145.35 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.613 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -130.4 105.56 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.535 HG13 HD12 ' A' ' 101' ' ' LEU . 6.0 mt -101.44 116.67 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -99.47 112.56 24.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.513 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 4.7 p90 -126.68 151.28 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.462 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -119.88 104.02 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -52.84 130.11 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 50' ' ' GLU . 3.2 mt -96.29 140.21 31.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ttt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.485 0.183 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -73.85 155.08 39.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.627 HG22 ' HE3' ' A' ' 40' ' ' LYS . 77.5 t -120.57 127.72 75.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.446 ' CE2' HD12 ' A' ' 35' ' ' ILE . 13.8 m-85 -116.58 103.63 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -83.0 103.37 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt -104.01 121.47 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.638 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.21 118.68 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.7 mp -123.11 -179.64 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -101.83 165.26 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -38.16 88.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.4 -49.49 72.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -80.85 -46.58 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.49 -38.79 63.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.19 -40.29 32.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.454 ' CE ' ' HG2' ' A' ' 74' ' ' PRO . 14.3 mtt -61.46 -47.57 85.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.6 HG22 ' HB3' ' A' ' 21' ' ' LYS . 93.9 t -58.38 -41.3 81.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -65.66 -38.5 89.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.7 p -64.96 -26.43 68.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.39 -12.4 61.64 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -60.66 -33.92 73.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 16' ' ' VAL . 3.4 tptt -79.99 103.92 10.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.76 -44.02 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.5 mt -105.9 128.19 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -101.97 114.07 27.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.563 HG21 HD13 ' A' ' 72' ' ' ILE . 25.1 t -106.74 136.02 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.21 157.3 3.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 m -45.5 133.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -77.93 58.71 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.534 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -81.08 164.89 48.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.534 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.5 Cg_endo -74.93 84.46 1.65 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.12 -43.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -113.27 -31.17 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -25.05 23.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.79 -31.8 68.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.551 HG21 HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -40.48 152.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -156.18 174.3 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HA ' HG12 ' A' ' 51' ' ' VAL . 10.7 ttt180 -68.2 142.99 55.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.16 -25.56 27.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.39 -175.32 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.627 ' HE3' HG22 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -144.03 146.03 32.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.775 ' C ' HD13 ' A' ' 42' ' ' ILE . 6.0 mt -123.35 138.59 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.775 HD13 ' C ' ' A' ' 41' ' ' ILE . 1.7 mm -111.77 113.98 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -87.43 125.98 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 m120 57.85 17.67 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.45 ' OD1' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 48.34 66.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tp -168.87 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -107.46 110.67 63.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.76 42.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.28 149.01 28.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -114.41 145.22 42.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 37' ' ' ARG . 89.6 t -78.55 113.82 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.458 HG22 ' CD ' ' A' ' 106' ' ' ARG . 8.2 t -77.56 -46.21 27.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -170.96 145.71 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.502 HG23 HG12 ' A' ' 103' ' ' ILE . 9.0 p -112.84 143.65 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -139.24 138.23 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.461 ' HG3' HD22 ' A' ' 101' ' ' LEU . 4.5 tttt -128.83 141.17 51.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.558 ' HD2' HG22 ' A' ' 63' ' ' VAL . 11.1 m-85 -137.67 -171.93 3.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.554 ' O ' HG11 ' A' ' 100' ' ' VAL . 3.0 mt-10 -107.64 -63.91 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 p -85.84 155.51 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.7 -41.97 20.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -38.97 58.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -35.56 80.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.744 HG21 HG23 ' A' ' 100' ' ' VAL . 23.9 t -65.1 -37.24 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 9.0 mp -76.38 -6.67 52.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -94.19 -42.54 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.48 -47.69 10.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 22.2 mp0 -92.76 146.2 31.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.39 14.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.428 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 47.7 mt -112.74 -33.03 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -60.05 -46.22 90.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -66.32 -49.99 65.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.563 HD13 HG21 ' A' ' 25' ' ' VAL . 49.3 mt -56.65 -54.13 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -123.49 127.18 25.63 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.454 ' HG2' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.94 -18.63 18.73 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.532 1.806 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -9.58 58.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 6.3 mtmp? 47.47 64.31 8.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -101.6 153.23 19.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -46.65 -41.56 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -44.78 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.239 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -58.88 -52.59 65.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.528 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -48.95 -41.09 32.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -40.19 72.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -60.69 -58.95 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -54.16 -48.66 70.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.744 HG23 HG21 ' A' ' 63' ' ' VAL . 2.4 p . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.616 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -148.45 120.31 8.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.419 ' HB1' ' HG2' ' A' ' 67' ' ' GLU . . . -106.85 108.15 19.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.616 HG13 HD12 ' A' ' 101' ' ' LEU . 48.5 mt -104.19 132.98 49.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -109.47 130.3 55.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 3.2 p90 -145.5 150.9 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.458 ' CD ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -122.43 112.78 18.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 107' ' ' VAL . 10.6 p -55.82 118.27 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.38 123.36 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.496 0.189 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 158.66 32.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.467 HG13 ' CG1' ' A' ' 42' ' ' ILE . 74.2 t -119.95 134.02 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -121.93 114.81 21.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -87.85 105.29 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.23 125.66 50.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.548 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.4 m-85 -83.92 118.93 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 7' ' ' TYR . 1.4 mp -120.53 179.64 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.54 153.05 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -27.64 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.28 -52.52 32.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.2 m-30 -74.98 -40.4 60.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.652 HD11 ' CD1' ' A' ' 47' ' ' ILE . 11.9 tp -58.11 -43.99 87.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.56 -49.23 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -39.54 90.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.478 HG11 ' CD2' ' A' ' 43' ' ' PHE . 70.4 t -64.68 -38.72 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -41.55 93.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.2 p -59.75 -23.69 63.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.05 -7.25 73.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -62.53 -37.47 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -73.0 107.56 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.89 -40.88 2.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.512 HD13 ' CD ' ' A' ' 67' ' ' GLU . 66.6 mt -102.53 121.39 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -102.63 112.1 24.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 72' ' ' ILE . 49.2 t -99.59 122.73 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -157.61 141.89 16.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -42.32 135.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 101' ' ' LEU . . . -75.69 60.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -82.68 163.52 51.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.99 81.88 2.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.401 ' C ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -174.01 -49.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 31' ' ' GLN . 2.7 mt -110.64 -24.23 10.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -23.44 57.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -29.96 63.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -42.28 159.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.97 163.9 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.09 135.72 56.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.95 -27.68 11.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.36 -175.59 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' CD ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -137.07 154.06 50.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.446 ' O ' HD13 ' A' ' 42' ' ' ILE . 24.6 mt -135.44 139.47 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG1' HG13 ' A' ' 3' ' ' VAL . 1.5 mm -120.13 116.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.478 ' CD2' HG11 ' A' ' 16' ' ' VAL . 39.9 m-85 -86.8 122.8 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' ND2' HD22 ' A' ' 13' ' ' LEU . 2.5 m-20 63.45 14.23 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER 52.64 56.93 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.537 HD23 HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -158.27 -46.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.652 ' CD1' HD11 ' A' ' 13' ' ' LEU . 3.0 mt -102.38 110.67 63.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.38 40.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.29 143.97 24.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.76 147.59 30.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.98 121.86 31.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.3 t -89.84 -49.8 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -163.29 148.46 11.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG23 HG12 ' A' ' 103' ' ' ILE . 3.7 p -128.24 127.96 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 57' ' ' TYR . 1.9 mmtp -142.81 149.08 38.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -126.69 151.99 47.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.52 ' CE1' ' HD2' ' A' ' 55' ' ' LYS . 45.6 m-85 -150.5 179.58 8.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.841 ' O ' HG22 ' A' ' 59' ' ' THR . 2.3 mt-10 -106.89 156.77 18.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 58' ' ' GLU . 14.7 t 52.99 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 18.5 p90 -99.63 -39.5 8.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.609 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -50.65 -36.28 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.528 ' H ' HG23 ' A' ' 59' ' ' THR . 0.4 OUTLIER -74.56 -52.64 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.494 HG21 HG23 ' A' ' 100' ' ' VAL . 3.0 t -51.77 -30.22 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HG ' HD11 ' A' ' 69' ' ' ILE . 5.9 mp -73.36 -29.11 62.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' GLN . 2.1 mmp_? -77.2 -39.49 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 2.7 tt0 -76.52 -56.5 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.512 ' CD ' HD13 ' A' ' 23' ' ' ILE . 4.7 mm-40 -92.85 151.34 40.7 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 172.58 16.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 22.5 mt -112.62 -31.3 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.24 -34.64 76.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -75.6 -56.17 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.442 HD13 HG21 ' A' ' 25' ' ' VAL . 48.5 mt -50.31 -44.62 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 65.3 m-85 -135.36 130.95 19.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 73' ' ' PHE . 18.4 Cg_endo -74.95 -22.13 15.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -20.58 52.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt 50.74 64.94 7.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.02 -169.97 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -111.86 153.48 26.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.37 -40.64 17.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.59 57.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -49.01 77.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.25 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -51.28 67.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -54.84 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -41.66 -46.51 3.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 -179.961 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.494 HG23 HG21 ' A' ' 63' ' ' VAL . 9.1 p . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.755 HD22 HG13 ' A' ' 103' ' ' ILE . 2.4 tt -122.86 130.91 53.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.529 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -110.34 104.62 13.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.755 HG13 HD22 ' A' ' 101' ' ' LEU . 40.7 mt -99.58 133.05 43.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.1 113.44 23.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 2.9 p90 -126.91 153.3 45.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 3.7 ttp180 -121.56 114.41 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 107' ' ' VAL . 14.9 p -57.92 119.09 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.1 mt -73.38 101.95 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.544 0.211 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.1 tttt -113.07 165.1 12.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.482 HG13 ' CG1' ' A' ' 42' ' ' ILE . 66.1 t -121.67 138.45 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -126.55 114.36 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -86.15 103.06 14.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.8 mt -105.18 118.02 35.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.492 ' O ' HD12 ' A' ' 8' ' ' LEU . 7.1 m-85 -81.3 117.09 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 7' ' ' TYR . 2.7 mp -118.95 176.73 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -98.05 148.22 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -28.57 42.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.25 -51.83 48.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.3 m-30 -75.38 -43.92 47.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.574 HD11 HD12 ' A' ' 47' ' ' ILE . 8.4 tp -53.21 -42.64 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.69 -49.05 10.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -45.29 81.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.721 HG22 ' HB3' ' A' ' 21' ' ' LYS . 46.2 t -60.24 -44.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -59.44 -40.93 88.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 p -64.72 -29.35 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.19 -21.08 31.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -50.9 -47.86 60.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.721 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -66.54 110.8 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -127.14 -44.8 1.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 26.5 mt -106.65 125.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 25' ' ' VAL . 6.4 tp10 -109.35 114.8 28.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 101' ' ' LEU . 97.0 t -108.11 101.63 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.74 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.6 tpt180 -140.12 68.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.282 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 26' ' ' ARG . 6.2 p 50.77 178.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.716 ' H ' HG22 ' A' ' 27' ' ' VAL . . . -126.73 58.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -84.61 169.26 17.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.05 84.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 -55.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -136.98 15.6 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -82.18 -31.9 30.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.405 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 1.1 t70 -72.76 -26.85 61.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 32' ' ' LEU . 5.5 tt -45.98 154.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -158.72 179.76 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -59.77 141.42 55.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.57 -18.29 38.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.06 177.1 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 16.1 ttpt -130.09 145.48 51.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.489 HD11 HD13 ' A' ' 35' ' ' ILE . 58.6 mt -127.7 133.2 68.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.482 ' CG1' HG13 ' A' ' 3' ' ' VAL . 3.2 mm -114.45 123.91 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.56 ' CD2' HG11 ' A' ' 16' ' ' VAL . 22.3 m-85 -97.64 127.69 43.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 59.61 16.92 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER 48.71 60.45 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.9 tp -160.03 -51.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.574 HD12 HD11 ' A' ' 13' ' ' LEU . 6.3 mt -102.3 111.37 64.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.62 42.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.06 146.33 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -108.99 143.19 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.2 t -78.0 113.41 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.5 t -79.42 -49.03 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -170.99 145.24 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.762 HG23 HG12 ' A' ' 103' ' ' ILE . 7.1 p -115.75 139.85 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -140.09 137.05 34.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -125.74 141.41 52.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 41.0 m-85 -132.48 -175.53 3.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -112.33 -45.31 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 63' ' ' VAL . 40.6 m -92.46 126.56 37.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 52.0 p90 -65.55 -38.95 91.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -61.51 -45.23 95.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -36.11 73.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.904 HG21 HG13 ' A' ' 100' ' ' VAL . 49.7 t -58.52 -38.23 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.587 HD12 ' CG1' ' A' ' 69' ' ' ILE . 2.3 mm? -71.65 -21.6 61.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' A' ' 65' ' ' ARG . 1.7 mmp_? -80.54 -44.92 18.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.75 -60.75 2.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -77.18 148.94 78.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 72' ' ' ILE . 18.5 Cg_endo -74.94 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.587 ' CG1' HD12 ' A' ' 64' ' ' LEU . 4.6 mt -112.23 -36.82 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.22 -45.44 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -70.82 -55.9 7.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 68' ' ' PRO . 60.5 mt -48.55 -55.76 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -122.27 128.2 25.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.14 9.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -15.16 35.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 7.4 mtmt 53.66 64.33 6.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 173.36 14.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.8 m -94.41 154.3 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -46.8 -41.11 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -44.13 47.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -52.72 64.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.01 -39.84 28.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -61.72 -41.2 97.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.413 ' N ' HD13 ' A' ' 83' ' ' LEU . 6.2 ttmt -74.14 -47.17 37.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -49.41 -46.71 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.904 HG13 HG21 ' A' ' 63' ' ' VAL . 66.1 t . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.567 HD13 ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -159.07 143.88 15.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.567 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -148.19 106.47 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.762 HG12 HG23 ' A' ' 54' ' ' VAL . 39.3 mt -104.28 131.35 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -99.83 117.46 34.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.2 p90 -129.61 152.51 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.433 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 5.8 mtp180 -125.94 122.82 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.8 p -64.44 121.48 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.76 97.35 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.48 0.181 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -86.57 166.58 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' A' ' 42' ' ' ILE . 65.0 t -120.02 133.61 66.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.524 ' HB3' HD21 ' A' ' 6' ' ' LEU . 67.1 m-85 -125.1 121.19 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -93.84 92.35 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 6' ' ' LEU . 3.8 mt -86.61 119.98 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.72 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -81.23 116.14 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 7' ' ' TYR . 9.7 mp -127.37 169.3 13.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.36 162.35 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -31.35 71.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.56 -50.12 72.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.4 m-85 -79.27 -45.45 19.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.56 HD11 HD12 ' A' ' 47' ' ' ILE . 12.0 tp -53.28 -43.88 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -45.72 -41.48 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.06 -44.1 97.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' A' ' 21' ' ' LYS . 88.8 t -60.92 -38.48 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.178 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -61.86 -47.59 84.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.0 p -59.01 -28.12 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CD ' ' A' ' 22' ' ' ARG . . . 102.97 -13.73 56.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -54.34 -51.11 65.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.624 ' HB3' HG22 ' A' ' 16' ' ' VAL . 1.9 tptp -57.14 107.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -123.6 -42.29 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mt -113.55 113.49 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -106.12 111.21 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' A' ' 102' ' ' ALA . 34.6 t -106.86 101.25 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.11 58.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 28' ' ' ALA . 61.4 t 61.33 159.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -96.97 56.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.48 157.14 0.38 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.16 -3.25 12.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -118.3 -49.31 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -26.49 4.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.11 -29.43 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.575 HG21 ' CD1' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -41.4 152.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.87 159.53 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -58.58 133.25 55.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.45 -10.09 53.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.557 ' HB2' HG21 ' A' ' 51' ' ' VAL . 11.8 m-20 -78.03 -177.78 5.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.819 ' HG2' HD11 ' A' ' 42' ' ' ILE . 12.3 ttpt -135.63 135.04 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.984 ' C ' HD13 ' A' ' 42' ' ' ILE . 42.6 mt -116.8 134.14 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.984 HD13 ' C ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -114.8 106.43 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CD2' HG21 ' A' ' 16' ' ' VAL . 28.7 m-85 -79.39 123.86 27.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.8 m120 61.1 14.71 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 t70 52.39 64.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 tp -167.1 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.56 HD12 HD11 ' A' ' 13' ' ' LEU . 9.0 mt -106.34 110.61 64.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 153.75 42.08 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.53 151.71 33.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -112.77 145.11 41.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.557 HG21 ' HB2' ' A' ' 39' ' ' ASP . 15.6 t -78.04 125.32 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 7.0 t -91.54 -47.35 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -168.22 146.3 4.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.79 138.23 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -137.01 153.18 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -125.19 140.29 52.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . 50.1 m-85 -138.26 -170.46 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -120.16 177.15 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.2 p 40.72 -138.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.499 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 45.7 p90 -143.07 -45.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.499 ' N ' ' CG ' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -53.28 -38.86 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -59.93 -42.19 93.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.77 HG21 HG23 ' A' ' 100' ' ' VAL . 4.8 t -61.0 -31.97 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.745 HD23 HD11 ' A' ' 69' ' ' ILE . 5.8 mp -74.35 -21.91 59.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.468 ' CG ' ' HD3' ' A' ' 61' ' ' ARG . 5.5 mmm180 -86.79 -42.33 13.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -63.26 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.53 153.82 46.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 175.13 11.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.745 HD11 HD23 ' A' ' 64' ' ' LEU . 34.0 mt -113.43 -36.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -53.9 -41.96 68.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -72.36 -56.74 4.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 55.7 mt -46.29 -49.58 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -134.45 128.33 19.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.71 13.52 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -17.39 24.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 52.48 68.17 3.33 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.5 Cg_endo -74.96 178.99 6.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.537 1.809 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.4 m -108.16 155.53 20.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -48.08 -39.01 18.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -40.81 63.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -42.08 87.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.22 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 84' ' ' LYS . 0.4 OUTLIER -67.61 -45.77 74.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.628 ' N ' HD23 ' A' ' 83' ' ' LEU . 4.0 tptt -72.44 -50.62 24.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -48.62 11.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.77 HG23 HG21 ' A' ' 63' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.628 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -158.76 119.48 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.44 ' HA ' HG22 ' A' ' 25' ' ' VAL . . . -105.89 105.1 14.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.575 ' CD1' HG21 ' A' ' 35' ' ' ILE . 34.5 mt -97.33 131.83 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -110.87 117.37 33.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.523 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 41.9 p90 -130.09 156.45 44.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.47 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -123.13 110.28 15.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.55 128.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.3 mt -85.34 107.33 17.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.53 0.205 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -103.51 158.56 16.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.514 HG13 ' CG1' ' A' ' 42' ' ' ILE . 46.2 t -115.34 137.51 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CG ' HD12 ' A' ' 35' ' ' ILE . 33.6 m-85 -127.27 109.32 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.5 ' C ' HD23 ' A' ' 6' ' ' LEU . 78.4 mtm180 -89.26 100.14 12.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 6' ' ' LEU . 5.1 mt -97.68 123.91 41.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.699 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.5 m-85 -80.95 116.5 20.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 7' ' ' TYR . 6.3 mp -122.81 178.88 4.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.02 153.4 20.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -40.45 62.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.81 -52.01 66.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.4 m-30 -71.97 -48.03 47.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' A' ' 47' ' ' ILE . 16.3 tp -53.35 -42.92 67.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -44.87 -48.66 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -42.64 90.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.7 HG11 ' CD2' ' A' ' 43' ' ' PHE . 91.3 t -63.81 -47.67 89.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -42.09 86.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.9 p -59.34 -26.58 65.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.943 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.85 -20.87 46.07 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -52.9 -44.21 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -71.85 106.36 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.42 -40.57 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.487 HG22 HG23 ' A' ' 25' ' ' VAL . 33.4 mt -107.52 127.33 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -109.56 111.17 22.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.756 HG22 ' HA ' ' A' ' 102' ' ' ALA . 97.1 t -125.0 131.92 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.68 -68.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 m -150.15 179.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 101' ' ' LEU . . . -127.47 27.43 5.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 1.4 t80 -42.09 153.19 0.29 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.04 91.34 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.18 -44.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.582 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -106.59 -35.75 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -31.72 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -58.96 -33.63 70.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.588 HD12 ' CG ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -42.25 162.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.8 ' HA ' HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -167.38 -178.24 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.65 148.65 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.2 -5.51 78.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' HB2' HG21 ' A' ' 51' ' ' VAL . 98.6 m-20 -94.39 -179.88 5.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.755 ' HG2' HD11 ' A' ' 42' ' ' ILE . 12.8 ttpt -134.14 141.5 47.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.569 ' C ' HD13 ' A' ' 42' ' ' ILE . 28.5 mt -122.56 132.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.755 HD11 ' HG2' ' A' ' 40' ' ' LYS . 1.5 mm -112.59 111.19 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.7 ' CD2' HG11 ' A' ' 16' ' ' VAL . 29.1 m-85 -80.6 120.68 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.06 17.92 7.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.6 t0 51.55 60.77 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -159.64 -50.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.529 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.3 mt -101.31 110.73 62.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.1 41.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.11 146.58 26.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -110.17 141.92 42.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 39' ' ' ASP . 14.8 t -74.46 123.47 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.6 t -90.32 -47.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -167.12 144.17 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.8 HG11 ' HA ' ' A' ' 36' ' ' LYS . 7.4 p -128.02 134.43 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -142.96 149.68 38.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -114.82 150.54 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.437 ' HB2' HG22 ' A' ' 63' ' ' VAL . 94.5 m-85 -141.63 -170.91 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -129.4 127.23 40.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m 74.12 124.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.457 ' O ' HD13 ' A' ' 64' ' ' LEU . 46.8 p90 -57.31 -30.62 64.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -36.6 78.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -47.26 60.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.963 HG21 HG23 ' A' ' 100' ' ' VAL . 89.3 t -53.68 -33.34 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 60' ' ' PHE . 6.0 mp -69.53 -24.97 63.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -87.46 -40.97 13.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.72 -61.25 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -91.47 156.62 43.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 173.08 15.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.422 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 57.7 mt -114.87 -38.7 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -51.5 -30.01 18.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -82.69 -51.4 7.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 84.4 mt -53.66 -61.68 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -118.99 128.91 25.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -20.78 16.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -15.45 46.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 9.6 mtmm 52.62 64.47 7.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.07 174.44 12.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -104.65 152.39 22.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -47.14 -41.19 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -40.52 60.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -63.75 -47.55 80.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.84 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -52.39 64.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -54.92 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -41.05 -47.01 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.963 HG23 HG21 ' A' ' 63' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -158.73 130.13 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.756 ' HA ' HG22 ' A' ' 25' ' ' VAL . . . -112.13 107.34 16.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mt -102.66 125.04 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -108.32 115.23 29.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.466 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 7.1 p90 -128.84 153.18 47.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.437 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 3.3 mtt180 -123.81 109.59 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.31 127.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -80.15 93.07 5.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.514 0.197 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -73.66 162.37 29.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.645 HG13 HD11 ' A' ' 42' ' ' ILE . 74.9 t -121.61 123.69 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CD2' HD12 ' A' ' 35' ' ' ILE . 10.3 m-85 -110.86 118.17 35.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -94.13 108.85 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 mt -103.37 122.62 45.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.734 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -80.82 116.32 20.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 7' ' ' TYR . 7.5 mp -124.77 169.56 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -99.39 149.13 23.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.5 -27.48 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.81 -54.52 44.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -82.69 -39.59 21.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.664 HD22 ' ND2' ' A' ' 44' ' ' ASN . 8.8 tp -53.63 -51.02 64.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -45.13 -41.62 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -38.86 89.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.85 HG22 ' HB3' ' A' ' 21' ' ' LYS . 58.2 t -69.83 -40.18 78.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.88 -38.14 89.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.5 p -64.85 -27.45 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.34 -24.37 22.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -48.33 -56.48 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.85 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -59.84 114.27 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -129.74 -44.04 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.7 mt -111.47 119.89 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -105.82 120.67 42.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 101' ' ' LEU . 1.4 p -108.61 135.03 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.538 ' O ' HG12 ' A' ' 27' ' ' VAL . 7.2 ttt180 -177.95 83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.759 HG22 ' H ' ' A' ' 28' ' ' ALA . 2.4 p 44.9 -169.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.759 ' H ' HG22 ' A' ' 27' ' ' VAL . . . -137.71 78.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -90.1 170.1 11.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.31 9.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 18.3 tp60 -105.76 2.25 27.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.3 mt -145.26 -52.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -49.78 -30.45 9.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.9 -33.96 76.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.512 HG21 HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -47.14 158.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.36 166.73 6.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -56.32 136.94 53.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.54 -22.63 28.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 0.8 OUTLIER -82.14 -171.9 3.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.736 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.633 ' CD ' HD11 ' A' ' 42' ' ' ILE . 10.6 ttmm -141.02 140.26 34.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.524 ' C ' HD13 ' A' ' 42' ' ' ILE . 65.4 mt -117.67 140.49 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.645 HD11 HG13 ' A' ' 3' ' ' VAL . 1.2 mm -122.0 122.51 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.51 ' CD2' HG11 ' A' ' 16' ' ' VAL . 62.1 m-85 -96.29 118.71 33.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.664 ' ND2' HD22 ' A' ' 13' ' ' LEU . 2.2 m-20 65.77 14.59 9.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 60.0 t0 52.94 58.24 5.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.33 -48.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.431 HD13 ' HG2' ' A' ' 17' ' ' LYS . 3.9 mt -101.53 110.4 61.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.38 42.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.91 149.32 29.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -109.17 138.25 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 t -73.65 124.59 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.7 HG21 ' HD3' ' A' ' 106' ' ' ARG . 20.2 t -90.0 -49.13 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.06 149.14 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.29 137.9 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 136.97 36.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HA ' HD22 ' A' ' 101' ' ' LEU . 7.2 tttp -118.88 140.84 49.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.4 ' OH ' ' CD ' ' A' ' 66' ' ' GLU . 57.8 m-85 -142.63 -170.85 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' C ' ' HG1' ' A' ' 59' ' ' THR . 11.6 pt-20 -115.44 -172.91 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.405 ' HG1' ' C ' ' A' ' 58' ' ' GLU . 62.3 p 38.16 -157.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -117.9 -49.94 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -51.03 -38.88 54.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 28.4 tp60 -50.6 -55.26 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.658 ' CG2' HG23 ' A' ' 100' ' ' VAL . 2.6 t -61.51 -32.39 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.552 HD23 HD11 ' A' ' 69' ' ' ILE . 8.5 mp -75.69 -20.82 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' ARG . 7.7 mmm180 -88.26 -41.0 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -75.82 -60.38 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HG3' ' HB1' ' A' ' 102' ' ' ALA . 26.6 mm-40 -93.17 148.54 35.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.26 10.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.552 HD11 HD23 ' A' ' 64' ' ' LEU . 31.3 mt -110.32 -28.8 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -60.5 -41.39 94.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -74.52 -56.12 5.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.466 HG22 ' CE1' ' A' ' 73' ' ' PHE . 45.2 mt -50.84 -43.09 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.466 ' CE1' HG22 ' A' ' 72' ' ' ILE . 21.1 m-85 -137.33 121.73 12.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.26 17.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.446 1.761 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.12 -21.22 58.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 9.1 mtmt 56.13 64.51 5.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.0 -175.45 2.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 m -102.95 151.83 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -46.89 -41.28 15.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -43.24 55.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -52.21 65.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.35 32.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -51.83 63.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -55.1 -50.07 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -44.05 87.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 64' ' ' LEU . 1.9 m-85 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.658 HG23 ' CG2' ' A' ' 63' ' ' VAL . 2.9 p . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -155.33 141.38 18.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.505 ' HB1' ' HG3' ' A' ' 67' ' ' GLU . . . -135.52 108.35 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.512 HD13 HG21 ' A' ' 35' ' ' ILE . 36.5 mt -101.3 132.01 47.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.5 116.22 31.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 21.2 p90 -130.88 152.91 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.7 ' HD3' HG21 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -121.35 116.18 24.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.5 p -61.12 135.75 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mt -99.59 89.8 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.467 0.175 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -87.01 153.57 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.529 HG13 HG12 ' A' ' 42' ' ' ILE . 54.9 t -111.53 136.66 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.569 ' CE1' HD12 ' A' ' 35' ' ' ILE . 23.1 m-85 -125.22 105.25 8.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -81.83 94.05 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -94.63 122.32 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -84.78 116.96 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 7' ' ' TYR . 4.0 mp -121.62 169.98 10.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -89.29 157.26 18.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -33.62 71.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.77 -53.07 62.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -77.73 -46.27 22.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 ' ND2' ' A' ' 44' ' ' ASN . 7.4 tp -52.95 -43.05 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -45.56 -48.04 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 mtt -58.03 -44.88 87.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -58.53 -38.82 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -41.57 94.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 p -59.12 -37.0 76.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.63 -1.94 34.27 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 124.52 22.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.13 -46.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.464 HD13 ' HD2' ' A' ' 68' ' ' PRO . 3.3 mp -98.3 126.83 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' C ' ' CD ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -108.54 111.07 22.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 m -106.51 111.3 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -162.23 167.52 23.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.478 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 78.5 t -45.06 129.48 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.758 ' CB ' HD13 ' A' ' 101' ' ' LEU . . . -75.58 59.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.532 ' HB2' HD12 ' A' ' 32' ' ' LEU . 23.2 m-85 -54.94 161.72 2.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.77 21.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 8.66 37.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 29' ' ' TYR . 16.9 mt -135.85 -53.02 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HA ' HD21 ' A' ' 101' ' ' LEU . 1.5 pptp? -50.36 -31.59 15.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.77 -27.4 64.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 4' ' ' TYR . 0.5 OUTLIER -50.41 153.24 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -164.6 177.4 8.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.22 131.83 48.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.94 -17.52 35.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.31 -179.67 7.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.603 ' HG2' HD11 ' A' ' 42' ' ' ILE . 17.6 ttpt -138.19 144.41 40.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 49' ' ' ALA . 63.1 mt -129.02 127.61 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.603 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.5 mm -106.57 114.87 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.571 ' CD2' HD22 ' A' ' 8' ' ' LEU . 15.1 m-85 -86.81 126.54 34.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.579 ' ND2' HD22 ' A' ' 13' ' ' LEU . 3.9 m120 60.54 15.96 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 51.27 59.25 4.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.6 tp -161.87 -48.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.471 HD12 HD11 ' A' ' 13' ' ' LEU . 5.5 mt -104.12 110.53 64.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.401 ' HB3' HD12 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.05 160.5 39.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.448 ' HB1' ' HD1' ' A' ' 105' ' ' PHE . . . -151.01 147.18 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -110.37 139.4 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 t -75.51 120.41 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.524 HG23 ' HA ' ' A' ' 105' ' ' PHE . 6.1 t -89.82 -45.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -166.4 159.31 14.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.72 147.35 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -142.65 149.35 38.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.541 ' HG3' HD12 ' A' ' 101' ' ' LEU . 17.6 tttm -136.47 144.79 44.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.534 ' CE1' ' OE1' ' A' ' 62' ' ' GLN . 5.0 m-85 -146.02 -171.34 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -106.67 -60.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 p -93.66 149.41 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -35.97 69.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -50.9 -41.0 58.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.534 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -65.27 -37.02 85.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.74 HG21 HG13 ' A' ' 100' ' ' VAL . 55.7 t -63.48 -28.85 45.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.31 -12.37 59.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -88.12 -45.86 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -55.46 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 41.2 mp0 -84.66 149.08 53.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.464 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 174.12 13.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 46.3 mt -111.88 -34.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.6 -36.76 76.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -73.03 -54.82 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.7 mt -47.29 -51.45 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 17.2 m-85 -135.52 136.43 23.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.99 -23.44 13.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.56 -19.1 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 50.65 66.76 5.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -104.9 155.49 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.03 -39.94 13.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.1 -48.71 22.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -46.63 83.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.24 -33.97 63.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -52.31 22.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -60.98 -53.67 54.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -41.98 -48.79 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.74 HG13 HG21 ' A' ' 63' ' ' VAL . 3.1 t . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.758 HD13 ' CB ' ' A' ' 28' ' ' ALA . 5.0 tp -126.91 121.49 31.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 55' ' ' LYS . . . -99.61 104.63 16.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.3 mt -102.77 126.86 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -107.7 128.97 55.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.524 ' HA ' HG23 ' A' ' 52' ' ' VAL . 5.9 p90 -149.65 156.94 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.433 ' HG2' HG22 ' A' ' 52' ' ' VAL . 4.0 ptm180 -135.3 123.56 23.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.3 p -57.07 135.33 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mt -85.8 95.73 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 110.971 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.513 0.197 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -85.24 158.11 20.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.477 HG13 ' CG1' ' A' ' 42' ' ' ILE . 55.4 t -117.13 131.92 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.47 ' CE2' HD12 ' A' ' 35' ' ' ILE . 13.8 m-85 -117.52 126.56 52.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -97.12 78.95 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.8 mt -75.21 123.02 24.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.739 ' C ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -82.69 116.72 22.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.739 HD12 ' C ' ' A' ' 7' ' ' TYR . 6.7 mp -123.58 159.83 28.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 6.0 mttp -87.8 160.15 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -34.86 69.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.98 -57.93 6.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.7 m-30 -64.64 -41.13 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.415 HD11 HD12 ' A' ' 47' ' ' ILE . 8.3 tp -58.33 -44.19 88.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -49.09 12.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtt -56.61 -43.6 80.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.75 HG11 ' CD2' ' A' ' 43' ' ' PHE . 80.4 t -62.49 -35.73 71.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -29.81 64.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.1 p -70.19 -27.52 64.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.7 -17.48 49.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -45.88 87.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.671 ' HB3' HG22 ' A' ' 16' ' ' VAL . 3.0 tptm -65.99 108.64 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.11 -44.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.1 mt -108.24 123.87 64.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 14.5 pt-20 -112.75 110.95 21.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 101' ' ' LEU . 7.3 p -106.19 113.61 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.471 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -150.48 82.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 26' ' ' ARG . 34.6 m 45.13 -168.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.01 33.01 2.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -56.73 166.26 1.39 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.28 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.749 ' HG3' HD23 ' A' ' 32' ' ' LEU . 13.3 tp60 -153.49 -64.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.749 HD23 ' HG3' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -133.53 17.37 3.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.414 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -76.93 -23.47 52.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.82 -25.62 35.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.644 HG23 HG21 ' A' ' 54' ' ' VAL . 2.1 tt -41.95 161.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.34 177.23 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 6.7 ttt180 -58.95 140.55 55.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.43 -27.57 15.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.72 -177.7 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HG2' HD11 ' A' ' 42' ' ' ILE . 22.7 ttpt -134.31 142.34 47.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' ALA . 41.7 mt -127.09 128.2 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.582 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.3 mm -113.38 116.92 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.75 ' CD2' HG11 ' A' ' 16' ' ' VAL . 31.6 m-85 -84.48 122.54 29.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 63.39 13.68 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.8 t0 55.24 50.2 15.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -149.31 -49.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.415 HD12 HD11 ' A' ' 13' ' ' LEU . 4.7 mt -101.53 110.9 63.0 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 152.04 40.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.02 149.13 29.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -107.05 149.21 27.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.81 115.73 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 106' ' ' ARG . 7.4 t -76.58 -48.64 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -174.77 142.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.644 HG21 HG23 ' A' ' 35' ' ' ILE . 87.5 t -121.83 134.32 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -142.49 155.28 45.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' CD ' HD23 ' A' ' 101' ' ' LEU . 6.3 ttpt -124.93 143.08 51.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 55' ' ' LYS . 69.2 m-85 -139.34 -171.85 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.07 149.65 43.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 61' ' ' ARG . 99.6 m 61.49 108.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.381 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -46.69 -27.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -65.94 -43.31 88.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.426 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -59.43 -48.22 82.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.564 ' CG2' HG23 ' A' ' 100' ' ' VAL . 13.3 t -54.46 -30.28 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.25 -29.9 63.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -83.45 -41.21 18.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.2 -55.37 8.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -95.78 158.95 33.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.38 14.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.5 HG22 ' HD2' ' A' ' 77' ' ' PRO . 71.0 mt -115.72 -40.16 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -55.17 -28.68 54.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -80.01 -55.74 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.421 HG22 ' CE2' ' A' ' 73' ' ' PHE . 39.2 mt -44.26 -46.41 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.421 ' CE2' HG22 ' A' ' 72' ' ' ILE . 58.6 m-85 -134.42 146.83 61.0 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.84 14.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.559 1.821 . . . . 0.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -68.02 -13.98 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' ASP . 8.3 pttt 38.27 64.54 3.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.5 ' HD2' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.95 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -89.42 159.48 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.98 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.05 -38.32 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.02 -43.81 51.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -45.77 90.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 86' ' ' PHE . . . -67.45 -31.67 71.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.694 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -65.3 -50.9 63.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.578 ' N ' HD13 ' A' ' 83' ' ' LEU . 5.7 ttpt -71.61 -36.83 70.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -57.0 -42.59 80.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 82' ' ' ALA . 3.3 m-85 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.564 HG23 ' CG2' ' A' ' 63' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -159.05 129.39 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -116.48 112.87 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.599 ' CD1' HD12 ' A' ' 32' ' ' LEU . 24.4 mt -109.05 132.05 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -114.31 119.07 35.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 11.0 p90 -133.63 148.48 51.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -118.37 114.73 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.1 p -58.43 127.3 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.97 120.06 30.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.443 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.506 0.194 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' LYS . 6.2 tppt? -73.48 158.27 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.585 HG13 HD11 ' A' ' 42' ' ' ILE . 78.7 t -127.48 125.99 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.625 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 4.0 m-85 -111.9 102.63 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.46 ' C ' HD23 ' A' ' 6' ' ' LEU . 6.0 mtm180 -81.15 104.57 11.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 5' ' ' ARG . 8.4 mt -104.76 121.53 43.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.655 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -82.66 117.89 22.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 7' ' ' TYR . 4.2 mp -123.81 178.91 5.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -97.6 164.36 12.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.35 -37.57 87.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.35 -47.88 80.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -74.92 -43.62 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 47' ' ' ILE . 14.6 tp -59.03 -47.43 85.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -44.56 -47.56 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -42.76 96.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 21' ' ' LYS . 22.9 t -58.37 -45.96 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HG3' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -58.06 -41.6 83.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 p -59.08 -31.16 68.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.15 -20.72 30.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.22 -47.89 24.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.648 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -65.98 118.48 9.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -135.56 -45.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.92 112.77 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.493 ' OE2' ' CE1' ' A' ' 105' ' ' PHE . 1.5 pm0 -108.44 113.86 27.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.429 HG11 HG11 ' A' ' 63' ' ' VAL . 14.7 m -102.43 141.65 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -165.42 -60.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -174.75 150.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.93 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -89.18 53.98 2.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -45.27 158.13 0.32 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.85 21.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -1.63 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 29' ' ' TYR . 23.1 mt -118.27 -54.24 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.83 -36.03 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -51.63 -36.58 46.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.625 ' CD1' ' CD2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -41.22 156.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.488 ' C ' HG11 ' A' ' 51' ' ' VAL . 2.2 ptmt -167.16 172.14 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -58.85 132.48 54.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 1' ' ' MET . . . 109.82 -37.31 3.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.46 -175.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.692 ' CD ' HD11 ' A' ' 42' ' ' ILE . 5.8 ttmt -138.57 145.92 41.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.7 HG22 ' CE1' ' A' ' 43' ' ' PHE . 91.8 mt -124.28 126.22 71.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.692 HD11 ' CD ' ' A' ' 40' ' ' LYS . 1.6 mm -108.82 118.35 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.7 ' CE1' HG22 ' A' ' 41' ' ' ILE . 7.9 m-85 -94.62 122.2 36.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 m120 60.35 19.14 8.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.6 t0 49.04 67.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 tp -169.06 -49.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.536 HD12 HD11 ' A' ' 13' ' ' LEU . 6.5 mt -102.35 110.89 63.81 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.53 41.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.654 ' HB1' ' HD2' ' A' ' 105' ' ' PHE . . . -151.16 155.24 38.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -115.17 145.04 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.488 HG11 ' C ' ' A' ' 36' ' ' LYS . 98.4 t -81.37 115.18 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.57 -49.49 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.44 149.81 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.0 137.85 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.93 167.09 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HG3' HD12 ' A' ' 101' ' ' LEU . 16.0 tttt -129.97 155.24 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 56.8 m-85 -158.58 -175.15 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -124.53 166.7 15.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.2 p 46.05 -164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -108.51 -44.35 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -51.77 -39.88 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -57.93 -53.11 61.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.474 ' CG2' ' CG1' ' A' ' 100' ' ' VAL . 42.0 t -67.04 -32.79 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.584 HD23 HD11 ' A' ' 69' ' ' ILE . 6.7 mp -74.62 -17.85 60.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -91.35 -41.59 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.2 -53.56 12.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -105.11 157.78 33.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.54 14.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.792 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.584 HD11 HD23 ' A' ' 64' ' ' LEU . 61.7 mt -105.78 -34.32 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.16 -31.11 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -79.29 -45.62 19.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.554 HG22 ' HD1' ' A' ' 73' ' ' PHE . 63.7 mt -64.62 -56.17 17.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.554 ' HD1' HG22 ' A' ' 72' ' ' ILE . 2.1 m-85 -120.01 126.07 27.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.79 14.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.13 -13.8 41.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 3.4 mtmt 51.95 63.89 8.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.457 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -177.78 3.71 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.6 m -105.97 155.18 19.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.9 -40.15 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.93 -48.82 22.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -43.91 83.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -55.23 -38.23 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -43.86 86.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.94 -58.97 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.77 -48.47 4.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 3.3 m-85 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.474 ' CG1' ' CG2' ' A' ' 63' ' ' VAL . 21.7 t . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.93 HD13 ' HB2' ' A' ' 28' ' ' ALA . 2.8 tp -110.18 122.37 47.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.64 105.22 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.1 mt -94.56 123.7 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -103.13 113.59 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.654 ' HD2' ' HB1' ' A' ' 49' ' ' ALA . 7.6 p90 -127.6 156.76 41.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -126.46 113.85 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -55.55 135.54 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -97.67 98.08 9.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ttt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.54 0.209 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.7 tttt -92.73 165.21 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.413 HG13 ' CG1' ' A' ' 42' ' ' ILE . 64.5 t -122.61 130.2 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -119.38 111.99 18.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -88.97 102.41 15.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -102.14 119.51 38.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.574 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -82.39 117.59 22.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.2 mp -122.02 178.09 5.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.84 164.31 12.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.31 -35.16 79.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.8 -49.9 75.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -77.04 -46.92 22.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 47' ' ' ILE . 18.1 tp -53.73 -44.19 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -47.05 -33.26 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.479 ' CE ' ' CG ' ' A' ' 74' ' ' PRO . 8.0 mtt -70.65 -47.19 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.599 HG11 ' CD2' ' A' ' 43' ' ' PHE . 46.1 t -60.28 -47.4 92.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -45.4 71.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 p -59.9 -34.78 73.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.59 -19.39 33.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -49.53 -34.91 18.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -78.95 116.78 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -45.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.422 HD12 ' HB3' ' A' ' 71' ' ' LYS . 3.2 mp -98.21 121.09 48.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -102.07 110.78 22.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.8 104.69 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.499 ' C ' HG22 ' A' ' 27' ' ' VAL . 8.6 ttt180 -142.05 69.14 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.499 HG22 ' C ' ' A' ' 26' ' ' ARG . 30.9 m 46.16 -170.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.02 24.98 8.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -41.64 155.26 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.99 82.78 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.8 -55.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.685 ' O ' HG22 ' A' ' 35' ' ' ILE . 7.6 mt -98.39 -28.01 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -32.38 17.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -66.48 -31.78 72.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -40.16 154.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HA ' HG11 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -155.88 172.39 18.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.72 138.15 56.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.16 -21.82 32.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.095 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.531 ' HB2' HG21 ' A' ' 51' ' ' VAL . 15.8 m-20 -73.48 -179.58 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.548 ' HD3' HD11 ' A' ' 42' ' ' ILE . 6.6 tttp -135.01 148.21 49.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.7 mt -129.21 142.45 43.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.548 HD11 ' HD3' ' A' ' 40' ' ' LYS . 1.8 mm -120.62 106.72 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CD2' HG11 ' A' ' 16' ' ' VAL . 31.7 m-85 -81.15 123.98 28.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 6.2 m120 60.25 15.98 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.6 t0 50.65 62.44 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.8 tp -165.1 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.553 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.0 mt -106.95 110.87 63.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.36 42.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.443 1.759 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.19 150.78 31.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -116.83 143.8 45.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 39' ' ' ASP . 12.6 t -77.01 118.09 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -84.99 -47.28 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -170.17 146.78 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 36' ' ' LYS . 4.3 p -124.14 137.11 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -140.1 142.42 36.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -114.27 152.69 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 66' ' ' GLU . 45.2 m-85 -158.62 -170.92 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.5 pt-20 -131.85 138.88 48.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.764 ' N ' HG21 ' A' ' 100' ' ' VAL . 2.1 m 78.64 145.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.501 ' O ' HD23 ' A' ' 64' ' ' LEU . 51.8 p90 -67.22 -39.27 86.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -55.46 -40.71 71.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 25.5 tp60 -57.74 -55.18 38.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.517 HG23 ' CG1' ' A' ' 100' ' ' VAL . 39.6 t -66.64 -32.51 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.941 HD12 HD11 ' A' ' 69' ' ' ILE . 2.3 mm? -67.26 -29.2 68.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -87.85 -39.16 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 57' ' ' TYR . 1.1 tm-20 -63.54 -54.13 40.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -107.04 157.45 35.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.08 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 172.97 15.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.811 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.941 HD11 HD12 ' A' ' 64' ' ' LEU . 5.2 mt -104.8 -26.15 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -30.7 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -81.95 -59.75 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.522 HG22 ' CD2' ' A' ' 73' ' ' PHE . 82.3 mt -40.9 -47.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.522 ' CD2' HG22 ' A' ' 72' ' ' ILE . 57.9 m-85 -135.23 147.62 63.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.479 ' CG ' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.97 -30.44 7.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 76' ' ' LYS . 2.2 m-20 -61.17 -14.98 28.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 32.85 63.45 1.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 -170.56 0.8 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.508 1.794 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.8 m -99.58 156.94 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.13 -38.45 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.48 -38.35 62.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -46.7 67.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 -35.59 73.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -34.58 78.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -72.54 -45.62 58.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -40.79 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.764 HG21 ' N ' ' A' ' 59' ' ' THR . 92.1 t . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -134.51 134.0 40.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.49 105.9 13.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.4 mt -95.66 131.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -117.81 114.64 23.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 2.7 p90 -129.76 157.48 42.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.43 113.3 19.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 107' ' ' VAL . 10.0 p -59.89 114.39 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.38 112.11 6.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ttt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.495 0.188 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -93.34 160.18 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.467 HG13 ' CG1' ' A' ' 42' ' ' ILE . 76.0 t -120.17 134.83 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.464 ' HB3' HD21 ' A' ' 6' ' ' LEU . 9.6 m-85 -123.32 109.7 14.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.576 ' C ' HD23 ' A' ' 6' ' ' LEU . 7.2 mtt180 -83.48 99.57 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 5' ' ' ARG . 4.2 mt -99.79 119.27 37.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.449 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.7 m-85 -82.73 118.94 23.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.509 HD22 ' CD1' ' A' ' 43' ' ' PHE . 1.2 mp -121.6 166.53 14.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.96 156.28 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -27.5 68.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.94 -50.81 53.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -77.61 -43.58 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.802 HD22 ' ND2' ' A' ' 44' ' ' ASN . 12.5 tp -53.23 -45.54 68.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -45.7 59.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -35.61 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.444 HG11 ' CD2' ' A' ' 43' ' ' PHE . 61.9 t -73.29 -45.99 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -33.96 60.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 p -75.28 -32.8 61.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 110.042 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.9 19.74 12.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -76.34 -34.56 58.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.05 148.41 34.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.55 -44.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 36.5 mt -111.62 123.04 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -105.39 124.87 50.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 101' ' ' LEU . 1.5 p -132.52 118.89 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.48 57.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.885 HG11 ' CE1' ' A' ' 29' ' ' TYR . 8.4 t 67.05 160.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.595 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -104.28 32.97 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.885 ' CE1' HG11 ' A' ' 27' ' ' VAL . 22.4 m-85 -48.26 154.57 1.06 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.01 2.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -168.92 -46.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.594 ' O ' HG22 ' A' ' 35' ' ' ILE . 7.2 mt -110.97 -29.08 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HE3' ' CA ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -48.63 -35.74 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CA ' ' HE3' ' A' ' 33' ' ' LYS . 6.7 t0 -57.17 -35.55 69.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -40.79 155.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -162.82 169.25 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -59.34 135.12 57.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.71 -18.47 34.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.42 -176.09 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.478 ' CD ' HD11 ' A' ' 42' ' ' ILE . 4.2 tttt -137.18 141.74 42.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.561 HG23 ' HG ' ' A' ' 6' ' ' LEU . 9.7 mt -126.99 131.58 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.478 HD11 ' CD ' ' A' ' 40' ' ' LYS . 2.8 mm -112.41 122.77 67.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' CD1' HD22 ' A' ' 8' ' ' LEU . 28.8 m-85 -93.73 129.09 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.802 ' ND2' HD22 ' A' ' 13' ' ' LEU . 3.9 m120 57.45 18.34 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t0 48.26 64.34 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -167.66 -43.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.46 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.6 mp -104.92 110.74 64.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 154.29 42.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.13 146.5 26.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -109.73 144.48 38.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.503 HG22 ' CD1' ' A' ' 41' ' ' ILE . 46.3 t -77.56 120.47 28.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 106' ' ' ARG . 16.0 t -86.94 -50.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -172.46 143.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.724 HG22 HG12 ' A' ' 103' ' ' ILE . 15.8 t -108.73 142.93 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.96 134.18 36.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HE3' ' CB ' ' A' ' 28' ' ' ALA . 22.2 tttt -129.0 141.9 51.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.489 ' CE1' ' NE2' ' A' ' 62' ' ' GLN . 47.9 m-85 -133.4 175.59 9.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 59' ' ' THR . 8.8 pt-20 -84.47 -46.12 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.615 HG23 ' HG3' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -122.89 147.78 46.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.386 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.487 ' N ' HG21 ' A' ' 100' ' ' VAL . 6.9 p90 -65.02 -32.88 74.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.615 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -50.9 -36.86 40.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' NE2' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -75.07 -39.87 60.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.831 HG21 HG13 ' A' ' 100' ' ' VAL . 74.1 t -51.66 -32.21 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mp -81.89 -25.51 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' GLN . 3.6 mmt85 -71.92 -47.67 50.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' CG ' ' OH ' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -82.2 -57.62 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -84.08 146.94 49.66 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.99 173.64 14.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.556 1.819 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 33.2 mt -105.43 -36.07 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.41 -43.2 79.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -65.8 -49.8 66.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.3 mt -57.48 -52.38 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -129.74 131.06 23.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.71 13.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.74 -18.07 19.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 55.6 mttt 50.92 64.36 8.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -172.79 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.2 m -106.26 152.01 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.76 -40.19 13.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -38.98 61.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -66.67 -52.22 47.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.84 -36.03 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 84' ' ' LYS . 0.4 OUTLIER -61.17 -45.52 94.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.572 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -72.49 -48.28 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -49.07 40.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.831 HG13 HG21 ' A' ' 63' ' ' VAL . 46.9 t . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.595 HD23 ' HB2' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -159.44 143.58 15.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.462 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -138.17 111.01 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.724 HG12 HG22 ' A' ' 54' ' ' VAL . 54.0 mt -109.37 133.2 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -110.32 114.69 28.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 9.8 p90 -124.24 154.64 39.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.475 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -122.65 111.42 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.248 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.78 125.53 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.99 117.53 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.983 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.509 0.195 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.5 155.82 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.69 HG13 HG12 ' A' ' 42' ' ' ILE . 74.0 t -120.19 124.25 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.585 ' CE2' HD12 ' A' ' 35' ' ' ILE . 4.3 m-85 -110.98 108.9 18.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -83.24 99.16 9.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -103.5 121.73 43.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.634 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -83.49 118.72 23.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.1 mp -123.28 171.47 9.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.94 156.99 16.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -32.32 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.69 -53.07 60.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -75.03 -44.82 45.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.624 HD11 HD12 ' A' ' 47' ' ' ILE . 11.5 tp -54.67 -42.16 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.17 -41.46 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . 0.402 ' SD ' ' CG ' ' A' ' 74' ' ' PRO . 4.0 mtt -60.68 -49.34 77.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 21' ' ' LYS . 58.0 t -57.48 -51.39 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HG2' HD13 ' A' ' 47' ' ' ILE . 2.2 mmtt -51.43 -40.08 58.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.5 p -69.95 -28.15 65.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.21 -26.71 22.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -42.42 -36.19 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HB3' HG22 ' A' ' 16' ' ' VAL . 1.3 tptt -75.29 110.2 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -45.67 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.1 mt -101.19 122.36 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -101.54 114.51 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -104.87 125.24 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -167.57 75.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.806 HG23 ' N ' ' A' ' 28' ' ' ALA . 1.4 m 36.96 -153.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.806 ' N ' HG23 ' A' ' 27' ' ' VAL . . . -143.2 53.02 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.494 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -80.41 173.83 7.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.03 164.04 34.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.11 -0.97 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -140.88 -56.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -29.62 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.27 -32.13 73.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.585 HD12 ' CE2' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -40.25 153.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.481 ' O ' HG11 ' A' ' 51' ' ' VAL . 3.5 ptmt -161.37 -179.19 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -73.18 141.73 47.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.78 -11.89 56.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -95.53 174.56 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.423 ' HG2' HD11 ' A' ' 42' ' ' ILE . 4.5 ttpt -125.0 140.89 52.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.673 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.0 mt -118.88 124.82 73.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.69 HG12 HG13 ' A' ' 3' ' ' VAL . 12.4 mm -104.13 126.82 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -105.9 124.91 50.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m120 59.77 19.66 8.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.522 ' HA ' HG22 ' A' ' 42' ' ' ILE . 61.5 t0 44.82 67.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -167.41 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 HD11 ' A' ' 13' ' ' LEU . 5.6 mt -103.78 110.52 64.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.83 41.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.16 150.16 30.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -112.95 139.94 48.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.673 HG22 ' CD1' ' A' ' 41' ' ' ILE . 13.9 t -73.86 121.11 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 14.5 t -86.93 -47.8 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -174.47 147.37 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.9 t -125.92 132.54 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 140.32 41.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -109.24 149.31 29.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.467 ' O ' HG13 ' A' ' 100' ' ' VAL . 87.8 m-85 -143.84 176.45 9.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -104.92 136.08 45.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.6 m 63.5 130.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 35.3 p90 -60.56 -42.1 95.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.644 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -53.39 -46.73 69.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -55.95 -43.78 77.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 57' ' ' TYR . 4.3 t -56.81 -29.11 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.74 -24.44 49.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -80.68 -42.73 21.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.49 -58.38 3.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -84.65 153.84 61.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.44 14.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.433 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 33.7 mt -110.1 -34.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -51.56 -48.59 63.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -64.48 -56.56 13.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.5 mt -48.59 -52.63 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -132.3 125.08 19.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.402 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.96 -20.82 16.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.34 -23.5 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 6.1 mtmt 62.32 64.21 1.8 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 m -100.6 153.22 19.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -46.78 -41.44 15.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.04 -46.19 36.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -57.24 -50.67 72.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.488 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -56.45 -37.16 69.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -41.19 95.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -71.52 -53.81 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.84 -47.65 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 4.1 m-85 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 57' ' ' TYR . 7.0 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.557 HD12 ' CB ' ' A' ' 28' ' ' ALA . 1.2 tt -125.2 133.37 52.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.45 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -112.72 106.36 14.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.462 HG13 HD22 ' A' ' 101' ' ' LEU . 38.0 mt -97.7 132.73 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.71 114.09 25.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -126.62 153.25 45.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.472 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 1.1 ttt180 -123.61 111.69 16.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.92 126.85 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.6 132.98 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.528 0.204 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -77.16 157.48 30.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.66 141.79 28.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -133.7 119.61 19.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 mtm-85 -91.92 109.49 20.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 mt -106.76 121.57 44.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.836 ' C ' HD12 ' A' ' 8' ' ' LEU . 5.9 m-85 -81.87 117.49 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.836 HD12 ' C ' ' A' ' 7' ' ' TYR . 7.3 mp -126.97 162.45 25.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -93.02 151.47 19.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -29.19 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.63 -53.14 56.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.5 m-85 -77.92 -41.22 37.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 44' ' ' ASN . 4.3 tp -57.13 -42.13 80.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -46.52 -49.17 18.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -45.42 82.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -58.58 -40.93 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -51.04 67.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -59.74 -21.57 60.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 21' ' ' LYS . . . 96.77 -22.54 39.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -42.79 -29.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -86.54 117.17 25.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.29 -45.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' A' ' 67' ' ' GLU . 8.5 mt -103.84 121.81 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -101.05 111.1 23.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 72' ' ' ILE . 57.8 t -101.85 136.05 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.72 146.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.1 t -40.07 128.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -70.29 61.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -77.82 159.56 76.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.96 80.57 2.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -161.27 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -137.72 13.29 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -85.89 -24.27 26.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -79.16 -24.81 43.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.66 HD13 HD11 ' A' ' 41' ' ' ILE . 5.4 tt -43.03 159.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -158.68 173.94 15.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 9.2 ttt180 -57.8 140.59 51.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.02 -21.17 32.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.64 178.6 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HG2' HD11 ' A' ' 42' ' ' ILE . 18.8 ttpt -134.17 148.97 51.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.66 HD11 HD13 ' A' ' 35' ' ' ILE . 52.5 mt -131.45 129.79 62.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.46 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.3 mm -106.76 113.68 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -88.44 125.22 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.566 ' HB2' HD13 ' A' ' 13' ' ' LEU . 2.2 m120 63.25 16.13 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.68 64.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.16 -42.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.524 HD12 HD11 ' A' ' 13' ' ' LEU . 10.2 mt -110.2 110.61 58.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.45 41.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.13 145.33 25.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.447 ' HB2' HD21 ' A' ' 108' ' ' LEU . 9.4 tt0 -108.32 138.37 44.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.7 t -75.79 121.98 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.8 t -86.21 -48.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.08 143.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -128.7 132.25 67.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -143.23 151.67 40.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -107.11 151.22 25.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.675 ' CD2' HG22 ' A' ' 63' ' ' VAL . 53.8 m-85 -130.01 -170.66 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.731 ' O ' HG21 ' A' ' 100' ' ' VAL . 3.3 mm-40 -88.31 -109.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 p -85.09 150.0 25.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -43.63 -41.21 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -41.02 60.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.88 -42.8 89.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' A' ' 57' ' ' TYR . 40.9 t -60.98 -43.56 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.685 ' HG ' HD11 ' A' ' 69' ' ' ILE . 8.5 mp -64.1 -22.81 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -83.54 -44.29 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -67.59 -57.17 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.284 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.497 ' OE2' ' CG1' ' A' ' 63' ' ' VAL . 5.5 pt-20 -106.16 152.86 40.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.02 15.23 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.685 HD11 ' HG ' ' A' ' 64' ' ' LEU . 9.1 mt -106.25 -32.53 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.502 ' OD2' ' CE ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -49.78 -32.85 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -77.32 -50.82 12.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.467 HD13 HG21 ' A' ' 25' ' ' VAL . 62.5 mt -57.51 -40.14 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 72' ' ' ILE . 29.6 m-85 -145.94 127.9 7.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.82 17.41 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -23.9 57.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.502 ' CE ' ' OD2' ' A' ' 70' ' ' ASP . 6.6 mttp 56.51 69.38 1.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.03 -169.85 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 m -110.7 150.76 28.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -41.83 16.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -37.51 63.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.66 -48.54 76.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.39 -34.06 60.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -46.51 63.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.23 -56.57 12.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.52 -41.9 10.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.731 HG21 ' O ' ' A' ' 58' ' ' GLU . 1.9 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.705 HD12 HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -159.59 129.49 5.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.431 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -110.22 104.78 13.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.705 HG13 HD12 ' A' ' 101' ' ' LEU . 8.8 mt -99.85 119.29 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -107.96 109.46 20.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 3.1 p90 -125.63 155.8 40.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -125.75 128.36 47.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.6 122.15 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 50' ' ' GLU . 2.6 mt -74.14 112.57 10.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.495 0.188 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -105.72 158.96 16.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.572 HG13 ' CG1' ' A' ' 42' ' ' ILE . 77.5 t -119.02 128.41 75.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 35' ' ' ILE . 6.1 m-85 -118.06 102.4 9.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 mtm180 -78.33 104.18 8.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.5 mt -106.83 122.25 46.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 109.28 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -85.31 116.94 23.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 111.036 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.461 HD22 ' HD1' ' A' ' 43' ' ' PHE . 1.1 mp -119.63 174.71 6.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.92 150.19 21.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.81 -32.45 52.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -63.07 -54.6 35.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.3 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.569 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.3 m-30 -72.66 -45.25 59.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.043 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.664 HD22 ' ND2' ' A' ' 44' ' ' ASN . 13.1 tp -52.9 -43.0 65.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -46.38 -48.52 18.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -56.98 -41.58 78.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.697 HG22 ' HB3' ' A' ' 21' ' ' LYS . 92.2 t -64.15 -37.28 79.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.422 ' HG2' HD13 ' A' ' 47' ' ' ILE . 3.2 mmtt -64.83 -40.68 95.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.85 -34.9 74.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.998 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.28 -12.8 26.13 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.465 1.103 . . . . 0.0 111.034 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.83 -33.67 50.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 0.766 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.697 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -84.4 109.74 18.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.73 -43.41 2.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 110.343 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mp -109.85 118.48 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.2 tp10 -100.94 111.24 23.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -98.25 129.53 48.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 -173.93 147.96 1.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.477 HG12 ' HA3' ' A' ' 99' ' ' GLY . 6.5 m -40.56 121.49 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.39 -84.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER 56.49 160.21 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.4 Cg_endo -74.95 164.95 32.38 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.513 1.796 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.464 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 83.77 -9.72 0.98 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.3 mt -138.7 -59.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.1 pttt -48.57 -29.64 4.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -34.69 72.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.484 HD12 ' CG ' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -40.34 154.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -155.27 173.89 15.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.088 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -66.78 140.68 57.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.2 -24.7 30.26 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -72.1 -175.97 1.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 0.749 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.741 ' HG2' HD11 ' A' ' 42' ' ' ILE . 12.4 ttpt -137.47 144.48 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.486 ' C ' HD13 ' A' ' 42' ' ' ILE . 94.4 mt -124.7 125.99 70.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.143 . . . . 0.0 109.311 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.741 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.7 mm -104.12 111.38 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.461 ' HD1' HD22 ' A' ' 8' ' ' LEU . 67.3 m-85 -88.06 126.59 35.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.664 ' ND2' HD22 ' A' ' 13' ' ' LEU . 4.8 m120 60.6 15.77 5.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 49.13 62.65 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.96 -43.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.422 HD13 ' HG2' ' A' ' 17' ' ' LYS . 4.4 mt -109.07 110.7 60.69 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.03 41.87 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.08 146.48 26.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.095 . . . . 0.0 109.29 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -109.05 137.93 46.18 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.12 . . . . 0.0 110.325 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 43.5 t -72.21 116.53 14.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.628 HG22 ' HB2' ' A' ' 106' ' ' ARG . 13.7 t -78.82 -51.18 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -165.11 146.09 7.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.0 p -118.45 129.98 73.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.256 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 139.02 34.91 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HA ' HD22 ' A' ' 101' ' ' LEU . 7.1 tttp -110.99 146.53 36.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.256 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HB3' ' CG ' ' A' ' 62' ' ' GLN . 16.3 m-85 -154.55 -170.88 3.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 111.011 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' O ' ' CB ' ' A' ' 62' ' ' GLN . 6.8 pt-20 -136.06 147.48 47.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.249 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.766 ' N ' HG21 ' A' ' 100' ' ' VAL . 3.6 m 69.14 124.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.378 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.521 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 18.8 p90 -48.83 -35.03 13.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 110.961 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.521 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -56.52 -35.58 68.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.278 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.472 ' CG ' ' HB3' ' A' ' 57' ' ' TYR . 22.8 tp60 -62.0 -55.43 29.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.676 HG23 ' CG1' ' A' ' 100' ' ' VAL . 9.1 t -61.24 -32.53 53.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.492 HD22 ' HD1' ' A' ' 60' ' ' PHE . 5.7 mp -74.7 -24.96 58.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -79.33 -45.24 20.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -51.59 8.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 110.328 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mp0 -98.85 147.37 33.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.3 14.75 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.48 1.779 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.462 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 3.4 mt -101.21 -34.29 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -58.14 -29.75 65.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.0 mttt -86.19 -60.03 2.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 89.9 mt -47.16 -39.93 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.54 141.05 37.9 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 111.001 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -42.51 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.453 1.765 . . . . 0.0 110.99 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.69 -17.02 19.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.6 pttt 43.4 65.79 5.23 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.358 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 -170.68 0.82 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.517 1.799 . . . . 0.0 110.966 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 50.1 m -95.09 153.09 17.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -47.1 -40.42 15.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.99 -38.15 61.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.75 -37.09 81.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.21 -37.06 86.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.875 HD22 ' O ' ' A' ' 83' ' ' LEU . 0.2 OUTLIER -62.75 -45.52 92.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.302 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.3 ttmm -69.6 -47.76 62.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -48.23 -45.7 34.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -68.47 -25.52 65.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -106.18 32.12 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.624 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -122.27 -49.65 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -43.78 124.03 3.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 111.029 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 54.96 87.96 0.13 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.127 . . . . 0.0 111.034 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -50.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.482 1.78 . . . . 0.0 111.01 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -41.58 -59.44 1.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -79.38 71.61 5.95 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.04 141.85 28.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.295 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.08 165.72 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.439 ' O ' ' CG ' ' A' ' 96' ' ' TYR . 6.2 p90 -56.76 132.37 51.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 111.043 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.02 161.67 18.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.502 ' CG ' ' N ' ' A' ' 99' ' ' GLY . 71.7 t80 -165.35 172.28 12.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.502 ' N ' ' CG ' ' A' ' 98' ' ' TYR . . . 71.74 112.6 0.05 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.467 1.104 . . . . 0.0 111.06 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.766 HG21 ' N ' ' A' ' 59' ' ' THR . 90.4 t -137.67 85.24 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 0.737 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.643 HD12 HG13 ' A' ' 103' ' ' ILE . 0.3 OUTLIER -121.69 126.16 48.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.626 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -101.67 104.89 15.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.643 HG13 HD12 ' A' ' 101' ' ' LEU . 7.0 mt -96.94 118.51 43.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.347 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.73 113.11 26.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 1.083 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.559 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 1.9 p90 -126.42 153.08 45.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.628 ' HB2' HG22 ' A' ' 52' ' ' VAL . 1.8 ttp180 -121.25 109.61 15.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 10.4 p -53.1 135.17 15.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -92.72 130.51 38.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 138.86 -84.62 0.23 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 33.8 ttt85 -44.4 162.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.777 . . . . 0.0 110.308 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.59 132.53 34.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.69 -174.19 3.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.401 ' CE ' ' HE2' ' A' ' 40' ' ' LYS . 15.4 ttt . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.486 0.184 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.8 tttt -71.7 159.91 33.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.574 HG13 HD11 ' A' ' 42' ' ' ILE . 53.8 t -118.63 129.9 74.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.48 ' CG ' HD12 ' A' ' 35' ' ' ILE . 17.8 m-85 -118.73 113.69 21.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -89.55 107.03 18.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.527 ' HG ' HG23 ' A' ' 41' ' ' ILE . 13.4 mt -105.34 125.76 51.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.522 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.5 m-85 -84.0 117.59 23.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 7' ' ' TYR . 1.7 mp -121.68 171.5 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 4.0 mttm -99.17 145.24 27.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.04 -27.65 1.41 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -67.44 -48.95 65.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 110.266 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.6 OUTLIER -80.75 -39.39 27.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.589 HD22 HD22 ' A' ' 44' ' ' ASN . 13.8 tp -58.86 -40.82 85.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -48.47 -45.29 36.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 13.1 mtt -60.68 -40.24 91.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.637 HG22 ' HB3' ' A' ' 21' ' ' LYS . 68.7 t -67.22 -41.54 86.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 109.303 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.434 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.7 OUTLIER -59.99 -39.9 87.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 26.6 p -63.0 -30.15 71.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.35 -13.48 54.84 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.461 1.101 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -59.75 -52.27 66.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 0.754 . . . . 0.0 109.328 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.637 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -55.8 99.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.48 -47.88 2.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.296 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 25' ' ' VAL . 3.7 mp -96.5 129.39 46.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -113.95 111.02 21.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.354 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 25' ' ' VAL . 8.8 m -121.37 103.06 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -145.57 59.28 1.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.5 t 62.18 141.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.543 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -63.36 -84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.16 153.34 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 110.97 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.414 ' O ' ' CB ' ' A' ' 31' ' ' GLN . 18.4 Cg_endo -74.99 165.33 31.55 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.414 ' CB ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER 80.98 -5.43 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.29 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.691 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -140.45 -59.74 0.52 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.9 -36.97 13.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.9 -34.92 66.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.691 HG22 ' O ' ' A' ' 32' ' ' LEU . 1.1 tt -41.19 156.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.339 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.08 171.09 21.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.01 144.96 52.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.51 -18.92 49.64 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.463 ' O ' HG23 ' A' ' 51' ' ' VAL . 1.1 m-20 -86.47 177.91 7.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 0.761 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.558 ' HG2' HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -132.82 144.2 50.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.257 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.527 HG23 ' HG ' ' A' ' 6' ' ' LEU . 19.4 mt -124.71 131.8 72.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.338 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.574 HD11 HG13 ' A' ' 3' ' ' VAL . 1.1 mm -106.59 116.73 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.616 ' CD2' HG11 ' A' ' 16' ' ' VAL . 50.7 m-85 -86.61 119.84 27.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.122 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.589 HD22 HD22 ' A' ' 13' ' ' LEU . 2.8 m-20 65.08 13.32 8.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 64.2 t0 54.73 59.69 3.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -162.32 -45.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.437 1.086 . . . . 0.0 109.322 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.439 HD12 HD11 ' A' ' 13' ' ' LEU . 6.1 mt -104.29 110.67 64.54 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 109.295 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.45 42.59 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.12 145.13 25.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.257 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -109.78 139.14 45.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 110.269 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 39' ' ' ASP . 11.8 t -72.3 127.23 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.5 t -95.33 -45.53 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -166.97 151.02 6.88 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG23 HG12 ' A' ' 103' ' ' ILE . 11.6 p -116.38 136.21 54.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.732 ' O ' HD13 ' A' ' 101' ' ' LEU . 13.7 mttp -129.47 138.35 51.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HG3' HD22 ' A' ' 101' ' ' LEU . 26.0 tttt -126.59 141.41 51.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.663 ' HB2' HG12 ' A' ' 100' ' ' VAL . 32.1 m-85 -154.28 166.46 33.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.163 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.432 ' O ' HG21 ' A' ' 100' ' ' VAL . 2.9 mt-10 -97.91 -60.85 1.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.739 ' O ' HG11 ' A' ' 100' ' ' VAL . 16.5 m -68.3 159.71 30.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.424 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.614 ' CE1' ' CD2' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -92.37 -48.71 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.948 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -52.38 -35.94 52.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.309 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.425 ' N ' ' HD2' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -57.13 -47.57 80.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.802 HG21 HG13 ' A' ' 100' ' ' VAL . 13.2 t -56.0 -36.09 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 5.7 mp -77.23 -24.12 51.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -44.15 42.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.328 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.1 -54.44 5.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.64 152.4 44.97 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 176.96 9.23 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.764 . . . . 0.0 110.979 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 56.3 mt -113.73 -35.48 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -57.78 -41.11 81.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -68.84 -51.19 43.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.551 HG22 ' CD2' ' A' ' 73' ' ' PHE . 50.7 mt -51.32 -50.24 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.551 ' CD2' HG22 ' A' ' 72' ' ' ILE . 39.7 m-85 -141.05 133.71 14.29 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -19.95 17.29 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.85 -23.23 63.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 59.41 65.46 2.6 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.05 167.9 25.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.782 . . . . 0.0 110.985 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.4 m -93.99 154.56 17.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.026 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.79 -39.83 12.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -74.84 -45.62 42.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.279 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -49.4 72.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.82 -38.83 65.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.496 ' O ' ' CG ' ' A' ' 87' ' ' HIS . 1.2 tp -57.2 -51.5 69.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.1 -55.86 9.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.8 -44.6 3.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.614 ' CD2' ' CE1' ' A' ' 60' ' ' PHE . 3.7 m-85 -72.36 -58.46 3.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 110.969 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 83' ' ' LEU . 52.3 m170 -45.04 -51.21 10.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.594 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.84 110.15 4.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.509 ' HB3' ' CD2' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -174.66 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.161 . . . . 0.0 110.967 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.509 ' CD2' ' HB3' ' A' ' 89' ' ' MET . 31.9 m-85 -118.26 161.99 32.26 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -69.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.41 157.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER 66.48 110.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 107.979 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -54.82 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -156.66 109.31 2.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.288 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -171.88 168.12 6.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 111.013 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -62.75 150.55 41.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.351 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -159.42 -49.09 0.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 100' ' ' VAL . . . -120.51 128.22 7.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.488 1.118 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.802 HG13 HG21 ' A' ' 63' ' ' VAL . 79.6 t -153.94 73.27 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.495 0.762 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.732 HD13 ' O ' ' A' ' 55' ' ' LYS . 0.1 OUTLIER -123.87 116.72 23.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.52 ' HA ' HG12 ' A' ' 25' ' ' VAL . . . -97.96 120.94 39.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.598 HD13 HG21 ' A' ' 35' ' ' ILE . 5.8 mt -118.19 119.85 62.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.242 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.2 mtpt -98.71 117.87 34.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.544 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 3.0 p90 -132.06 148.45 52.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 111.039 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.3 mtp85 -118.43 122.76 43.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.568 1.167 . . . . 0.0 110.34 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 p -65.06 134.4 29.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.24 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.0 mt -95.47 157.1 16.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.28 -106.14 2.81 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.48 1.113 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.08 153.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -50.9 162.27 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -178.51 0.1 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 110.315 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.9 ttt . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.465 0.174 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -90.99 154.59 19.34 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.456 HG13 ' CG1' ' A' ' 42' ' ' ILE . 40.4 t -112.77 134.29 55.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.457 ' CD2' HD12 ' A' ' 35' ' ' ILE . 12.9 m-85 -126.84 113.2 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 -87.34 106.54 18.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.4 mt -105.44 124.22 49.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.414 1.071 . . . . 0.0 109.283 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.63 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -84.02 117.16 23.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.9 mp -122.34 165.64 15.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.551 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -89.01 146.22 25.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.25 -36.51 14.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -59.3 -52.94 63.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.551 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.5 m-30 -73.6 -45.68 51.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.693 HD11 ' CD1' ' A' ' 47' ' ' ILE . 10.1 tp -53.29 -42.88 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -44.84 -46.96 11.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.287 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.423 ' HE2' ' HG2' ' A' ' 74' ' ' PRO . 2.2 mtt -59.86 -43.31 94.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.723 HG22 ' HB3' ' A' ' 21' ' ' LYS . 64.4 t -60.46 -39.93 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.1 -48.86 76.78 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 13.2 p -59.15 -35.45 73.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.993 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.96 -11.69 27.11 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 mttt -58.49 -32.06 68.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.723 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.5 OUTLIER -84.33 111.42 19.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -129.47 -45.1 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.426 HD13 ' HD2' ' A' ' 68' ' ' PRO . 2.7 mp -113.55 120.45 63.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.49 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 5.3 pt-20 -114.63 117.22 30.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.834 HG12 ' HA ' ' A' ' 102' ' ' ALA . 2.2 m -121.45 141.38 42.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -164.56 -70.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.4 m -141.25 174.09 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -126.72 28.62 5.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.8 160.59 0.39 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 80.31 2.45 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.488 1.783 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.15 -55.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.321 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.618 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.9 OUTLIER -105.79 -21.97 13.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -56.42 -25.53 50.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.03 -28.57 61.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.618 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.4 OUTLIER -43.7 161.35 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.5 pttm -166.7 171.52 11.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.9 ttt180 -62.31 141.58 58.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 110.322 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.39 -25.18 24.04 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.479 1.112 . . . . 0.0 111.037 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -82.2 179.84 7.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 5.2 ttpt -134.08 148.65 51.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.442 ' O ' HD13 ' A' ' 42' ' ' ILE . 31.9 mt -122.21 148.98 25.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.347 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.473 HG22 ' HA ' ' A' ' 45' ' ' ASP . 3.1 mm -124.02 115.3 44.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.128 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CD2' HG11 ' A' ' 16' ' ' VAL . 60.7 m-85 -91.37 124.71 35.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.3 m120 60.58 15.58 5.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.473 ' HA ' HG22 ' A' ' 42' ' ' ILE . 0.4 OUTLIER 49.63 58.95 4.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 8.3 tp -161.01 -44.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.693 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.8 mt -104.81 110.72 64.82 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.99 41.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.468 1.773 . . . . 0.0 111.035 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.57 147.28 27.97 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.425 ' HB2' HD21 ' A' ' 108' ' ' LEU . 12.5 tt0 -110.87 143.99 40.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.166 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.6 t -75.17 129.41 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.527 HG21 ' HD2' ' A' ' 106' ' ' ARG . 6.4 t -99.81 -47.08 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 54' ' ' VAL . 3.2 tm-20 -160.08 164.78 32.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.138 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 49.6 t -150.54 132.35 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.52 156.71 48.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.1 ttpp -122.34 140.96 52.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.771 ' HB2' HG12 ' A' ' 100' ' ' VAL . 63.7 m-85 -143.29 160.32 40.72 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -106.48 -16.32 14.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.1 p -117.05 124.92 50.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.371 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -57.23 -49.94 74.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.8 -39.74 53.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.598 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 0.1 OUTLIER -56.98 -38.05 72.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.319 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.411 ' CG2' HG13 ' A' ' 100' ' ' VAL . 89.1 t -63.64 -29.51 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.652 HD23 HD11 ' A' ' 69' ' ' ILE . 11.0 mp -80.94 -24.63 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -74.66 -47.45 31.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -78.14 -55.69 5.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.28 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -91.54 153.18 44.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.652 HD11 HD23 ' A' ' 64' ' ' LEU . 27.6 mt -108.91 -32.87 2.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -59.53 -25.75 64.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -86.85 -52.81 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 58.4 mt -55.14 -42.44 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.145 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -140.78 122.47 9.33 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HG2' ' HE2' ' A' ' 15' ' ' MET . 18.3 Cg_endo -75.0 -20.65 16.64 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.499 1.789 . . . . 0.0 111.018 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.08 -19.83 61.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 8.0 mtmt 62.9 64.4 1.54 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.02 172.91 15.45 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.442 1.759 . . . . 0.0 111.008 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 61.8 m -100.86 153.66 19.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.015 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -46.9 -40.58 14.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 110.993 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -44.22 49.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 110.323 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -60.87 -49.26 78.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -53.9 -34.63 60.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -49.38 66.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.133 . . . . 0.0 109.352 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.33 -52.34 48.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 -44.09 -45.84 8.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -83.69 48.98 1.51 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.0 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -167.59 -54.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.135 . . . . 0.0 109.582 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -51.16 -40.72 59.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.94 -61.28 1.81 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 21.8 p90 -135.97 147.69 61.9 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.23 13.1 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.026 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.85 73.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.05 83.43 7.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 108.01 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.57 -55.01 0.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 63.02 82.36 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -170.83 176.58 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.105 . . . . 0.0 110.943 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.7 mtm180 -59.42 111.86 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.418 1.074 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.2 156.79 12.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 39.91 -140.06 0.95 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.771 HG12 ' HB2' ' A' ' 57' ' ' TYR . 67.2 t 61.08 56.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 0.785 . . . . 0.0 109.327 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.601 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -113.56 117.39 31.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.255 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.834 ' HA ' HG12 ' A' ' 25' ' ' VAL . . . -99.37 105.68 17.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.601 HG13 HD12 ' A' ' 101' ' ' LEU . 17.7 mt -102.05 123.68 55.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -102.64 128.86 49.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.482 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.3 p90 -143.15 152.03 41.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.527 ' HD2' HG21 ' A' ' 52' ' ' VAL . 4.1 mtt85 -123.51 126.67 47.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.296 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.65 126.48 24.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.345 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.425 HD21 ' HB2' ' A' ' 50' ' ' GLU . 1.9 mt -81.04 98.32 7.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 167.63 -84.62 0.1 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.88 164.52 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 0.749 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -76.46 152.39 36.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.83 178.53 4.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.544 0.212 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.457 ' O ' ' N ' ' A' ' 40' ' ' LYS . 2.1 tttp -80.03 162.65 24.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.533 HG13 ' CG1' ' A' ' 42' ' ' ILE . 72.9 t -124.52 122.68 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.278 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.678 ' CG ' HD12 ' A' ' 35' ' ' ILE . 35.9 m-85 -110.53 122.24 47.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.5 mtm-85 -94.4 101.33 13.25 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.487 ' HG ' HG23 ' A' ' 41' ' ' ILE . 7.6 mt -96.25 120.19 36.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.748 ' C ' HD12 ' A' ' 8' ' ' LEU . 9.4 m-85 -80.52 116.85 20.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.748 HD12 ' C ' ' A' ' 7' ' ' TYR . 8.6 mp -126.72 167.26 15.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.44 159.89 14.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -57.68 -36.05 71.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -58.59 -53.92 52.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.6 m-85 -73.87 -44.41 55.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.621 HD11 HD12 ' A' ' 47' ' ' ILE . 14.7 tp -52.8 -43.58 66.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.84 -47.89 11.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.7 mtt -58.32 -42.49 86.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 61.1 t -62.31 -37.67 79.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.257 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -70.17 -40.43 74.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.6 p -59.17 -24.41 63.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.056 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 96.4 -13.5 65.54 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -59.41 -47.57 84.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -63.78 126.9 29.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.48 -45.88 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.536 HD13 ' HD2' ' A' ' 68' ' ' PRO . 5.9 mt -114.13 124.85 71.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.133 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -119.81 112.26 19.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.546 HG21 ' CZ ' ' A' ' 86' ' ' PHE . 26.2 m -84.07 111.47 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.59 -170.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.571 HG13 ' HA3' ' A' ' 99' ' ' GLY . 11.8 t -104.32 22.89 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 29' ' ' TYR . . . 54.45 -107.45 0.37 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.095 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.403 ' O ' ' O ' ' A' ' 28' ' ' ALA . 0.7 OUTLIER 52.44 172.2 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 111.035 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 87.73 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.013 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.29 -64.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.526 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.5 OUTLIER -139.88 15.98 2.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.497 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -70.27 -26.48 63.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.261 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -74.04 -25.53 59.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.678 HD12 ' CG ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -41.59 152.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.551 1.157 . . . . 0.0 109.264 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.62 178.94 9.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.341 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -68.47 142.99 55.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.42 -15.61 55.92 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.486 1.117 . . . . 0.0 111.023 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.19 -162.99 0.72 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 0.776 . . . . 0.0 109.274 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.704 ' HG2' HD11 ' A' ' 42' ' ' ILE . 0.5 OUTLIER -148.83 145.56 27.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.531 ' C ' HD13 ' A' ' 42' ' ' ILE . 76.5 mt -125.32 127.9 72.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.704 HD11 ' HG2' ' A' ' 40' ' ' LYS . 3.4 mm -106.93 106.81 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -79.48 121.94 25.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 m120 62.59 13.9 6.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.458 ' HA ' HG22 ' A' ' 42' ' ' ILE . 37.6 t0 55.28 52.3 11.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.56 -46.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.621 HD12 HD11 ' A' ' 13' ' ' LEU . 7.2 mt -103.14 110.82 64.41 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 157.22 42.75 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.544 1.813 . . . . 0.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.18 146.48 26.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HB3' HD21 ' A' ' 108' ' ' LEU . 8.1 tt0 -107.02 139.65 41.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.308 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.8 t -77.27 120.65 28.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.9 t -89.12 -46.54 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -172.53 145.64 1.62 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.599 HG22 HG12 ' A' ' 103' ' ' ILE . 41.4 t -125.57 142.18 43.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.648 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -140.88 142.57 34.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -114.55 157.4 23.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.648 ' HB2' HG12 ' A' ' 100' ' ' VAL . 42.9 m-85 -156.49 172.43 18.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.087 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -103.04 -53.35 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.305 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 89.3 m -81.03 136.24 35.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 37.7 p90 -74.19 -35.29 63.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.5 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -62.43 -40.04 95.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.255 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.47 -41.36 80.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.845 HG21 HG13 ' A' ' 100' ' ' VAL . 76.5 t -59.11 -29.2 40.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 69' ' ' ILE . 6.9 mp -77.38 -24.28 50.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -78.77 -45.44 21.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.301 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -75.35 -59.36 2.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 110.279 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.405 ' OE2' HG21 ' A' ' 23' ' ' ILE . 6.1 mm-40 -89.53 150.91 45.3 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 110.257 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.536 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.98 176.59 9.71 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.505 1.792 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.6 HD11 HD23 ' A' ' 64' ' ' LEU . 64.5 mt -111.94 -34.88 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -57.18 -41.0 78.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.8 mmtp -69.86 -52.13 27.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.02 -50.54 69.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -127.1 126.37 24.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 111.067 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -22.33 15.02 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.491 1.785 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.49 -16.16 62.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt 52.75 66.88 4.39 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.03 -179.92 5.47 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.521 1.801 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 12.0 m -100.49 154.02 18.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.86 -40.52 14.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.65 -43.77 53.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.333 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -62.28 -41.16 98.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.45 -39.14 75.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.769 HD13 ' N ' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -59.43 -50.9 72.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.137 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.769 ' N ' HD13 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -67.69 -48.26 67.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.06 -49.03 61.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.432 1.083 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.546 ' CZ ' HG21 ' A' ' 25' ' ' VAL . 4.2 m-85 -75.3 56.86 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.435 ' CG ' ' O ' ' A' ' 86' ' ' PHE . 1.1 m-70 176.84 -56.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.579 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -65.21 88.77 0.08 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.0 ptm 179.94 121.25 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.127 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 90.4 m-85 51.78 87.5 0.13 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.18 27.62 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.47 1.774 . . . . 0.0 111.025 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -170.44 68.94 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 54.02 78.45 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 108.034 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.7 mttp 60.73 115.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -65.24 146.03 55.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -137.53 -160.11 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 63.86 165.78 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 110.272 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.475 ' CG ' ' N ' ' A' ' 99' ' ' GLY . 41.3 p90 -115.37 -47.24 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.571 ' HA3' HG13 ' A' ' 27' ' ' VAL . . . 50.08 97.52 0.01 OUTLIER Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.845 HG13 HG21 ' A' ' 63' ' ' VAL . 83.7 t -145.58 96.46 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 55' ' ' LYS . 1.2 tt -147.71 131.49 17.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.414 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -107.24 113.0 26.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.599 HG12 HG22 ' A' ' 54' ' ' VAL . 24.4 mt -113.43 127.92 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? -112.6 112.8 24.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.467 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 8.1 p90 -122.78 150.66 42.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 111.026 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.82 109.14 16.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.166 . . . . 0.0 110.325 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.6 p -56.65 126.12 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.466 HD21 ' HB3' ' A' ' 50' ' ' GLU . 5.0 mt -91.92 106.37 18.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 154.73 -89.02 0.12 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -48.41 159.02 0.23 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.449 0.735 . . . . 0.0 110.262 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.49 155.06 41.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 176.18 6.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 179.973 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 tmm? . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.525 0.202 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.17 163.42 28.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.587 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 75.8 t -130.08 137.23 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -120.12 122.98 42.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 mtm-85 -91.89 105.31 17.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 19.6 mt -102.15 117.76 35.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.36 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.698 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.5 OUTLIER -80.64 117.62 21.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.698 HD12 ' O ' ' A' ' 7' ' ' TYR . 6.2 mp -123.16 175.44 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.138 . . . . 0.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 20.9 mmtm -96.09 156.0 16.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.357 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.81 -26.94 66.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.93 -46.8 67.33 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.6 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -80.33 -43.3 21.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 111.013 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.655 HD13 ' OD1' ' A' ' 44' ' ' ASN . 10.2 tp -57.18 -41.0 78.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -49.23 -47.21 46.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -39.83 79.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.435 1.084 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.631 HG22 ' HB3' ' A' ' 21' ' ' LYS . 98.7 t -66.12 -37.12 79.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.62 -45.94 90.54 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.302 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 24.5 p -59.79 -25.98 65.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.39 -0.97 63.96 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.6 mtmm -67.86 -32.72 73.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 0.748 . . . . 0.0 109.32 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.631 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -80.14 106.62 12.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.96 -38.33 4.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.433 HD13 ' HD2' ' A' ' 68' ' ' PRO . 5.1 mt -111.95 125.4 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.36 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -100.94 111.09 23.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.89 HG21 HD13 ' A' ' 72' ' ' ILE . 3.3 t -94.37 112.55 27.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.47 139.44 18.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 27' ' ' VAL . 23.2 m -45.15 109.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.331 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.981 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -42.13 -82.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.458 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER 57.66 160.48 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.458 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.99 83.68 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.465 1.771 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.96 -62.04 0.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.241 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -135.96 12.82 3.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -71.71 -33.4 68.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -57.66 -25.64 60.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.451 HG22 ' O ' ' A' ' 32' ' ' LEU . 10.9 tt -42.68 163.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -170.84 169.06 7.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 109.256 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.4 ttt180 -49.86 142.63 8.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.65 -30.51 9.96 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.533 1.145 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -74.73 -176.6 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.781 ' HD3' HD11 ' A' ' 42' ' ' ILE . 6.3 tttt -139.43 140.71 37.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.62 ' CD1' HG22 ' A' ' 51' ' ' VAL . 6.4 mt -119.48 142.84 32.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.781 HD11 ' HD3' ' A' ' 40' ' ' LYS . 3.0 mm -121.21 119.54 59.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.407 ' CD2' HG11 ' A' ' 16' ' ' VAL . 45.4 m-85 -95.17 125.98 40.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.105 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.655 ' OD1' HD13 ' A' ' 13' ' ' LEU . 7.7 m120 60.99 15.63 6.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 56.5 t0 49.08 59.15 4.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.66 -46.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.4 mt -100.84 110.37 60.64 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 154.29 42.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.54 1.811 . . . . 0.0 111.018 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -150.9 153.51 35.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.687 ' HB2' HD21 ' A' ' 108' ' ' LEU . 12.6 tt0 -114.07 146.75 39.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.62 HG22 ' CD1' ' A' ' 41' ' ' ILE . 18.8 t -82.63 120.63 34.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.5 t -89.53 -46.68 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.417 ' HG3' ' N ' ' A' ' 54' ' ' VAL . 6.5 tp10 -170.61 152.59 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.827 HG23 HG12 ' A' ' 103' ' ' ILE . 5.3 p -121.69 138.7 51.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.99 144.73 47.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.2 ttpp -133.99 148.16 51.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.415 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 80.0 m-85 -159.11 177.14 11.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.6 mt-10 -105.24 137.0 43.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.446 1.091 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.503 ' O ' HG21 ' A' ' 100' ' ' VAL . 1.6 m 78.29 164.22 0.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.38 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.435 ' O ' HD13 ' A' ' 64' ' ' LEU . 71.0 m-85 -83.89 -44.05 14.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.406 ' HD2' ' N ' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -52.06 -44.04 64.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.273 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.436 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 29.2 tp60 -54.19 -54.3 41.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.267 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.582 ' CG2' HG23 ' A' ' 100' ' ' VAL . 3.6 t -61.29 -38.3 79.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.563 1.164 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 60' ' ' PHE . 8.5 mp -64.36 -31.38 72.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 9.6 mmt180 -81.25 -39.01 25.99 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.509 1.131 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.35 -54.54 16.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' HG3' ' HB1' ' A' ' 102' ' ' ALA . 5.9 mm-40 -103.75 156.92 34.93 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.04 174.05 13.46 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.519 1.799 . . . . 0.0 111.008 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.424 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 52.0 mt -113.13 -38.02 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.05 -31.01 60.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -79.04 -55.09 5.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.89 HD13 HG21 ' A' ' 25' ' ' VAL . 54.5 mt -50.74 -51.45 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -130.73 128.31 22.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.33 16.9 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.478 1.778 . . . . 0.0 110.961 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -60.41 -21.04 61.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 13.9 mtmt 58.17 65.02 3.41 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 177.29 8.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.7 m -105.44 154.61 20.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.83 -37.67 9.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.032 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -74.21 -45.23 49.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 17.8 tttt -55.47 -45.37 76.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.88 -31.64 69.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.314 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.14 -51.34 64.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -66.19 -57.91 6.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -41.67 -44.16 3.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -87.27 53.76 2.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -174.12 -55.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.608 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -46.81 -54.65 9.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.3 mtm -38.59 131.13 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 111.017 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 53.76 86.73 0.16 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -41.84 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -179.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.448 1.092 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 3.7 m-90 57.51 71.49 0.57 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 108.022 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -72.86 83.08 1.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.57 160.02 41.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 80.4 m-85 -82.78 151.12 26.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.951 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.3 ptt-85 -162.28 165.53 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.1 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 35.1 p90 -160.02 -162.39 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 111.027 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 100' ' ' VAL . . . 162.18 -64.89 0.26 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.582 HG23 ' CG2' ' A' ' 63' ' ' VAL . 2.3 p 40.24 87.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.52 0.776 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.981 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 6.3 tp -145.76 132.91 20.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' HB1' ' HG3' ' A' ' 67' ' ' GLU . . . -115.5 105.43 12.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.827 HG12 HG23 ' A' ' 54' ' ' VAL . 36.9 mt -99.72 130.65 48.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -105.88 122.03 45.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 6.1 p90 -135.41 155.94 49.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -127.25 116.58 20.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.9 p -57.98 127.15 16.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.687 HD21 ' HB2' ' A' ' 50' ' ' GLU . 1.3 mt -82.88 99.29 9.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 139.5 -103.14 0.37 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.4 ' O ' ' O ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -48.86 172.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 0.766 . . . . 0.0 110.303 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.415 ' CG ' ' N ' ' A' ' 112' ' ' LYS . 0.7 OUTLIER 56.93 163.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.415 ' N ' ' CG ' ' A' ' 111' ' ' ASP . 0.0 OUTLIER -59.24 167.02 1.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 110.292 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.516 0.198 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -89.24 155.41 19.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.596 HG13 HD11 ' A' ' 42' ' ' ILE . 71.7 t -111.63 123.97 67.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -112.79 113.06 24.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -90.67 102.16 14.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.307 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.3 mt -103.94 132.13 50.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.571 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.5 m-85 -88.53 117.0 27.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 111.016 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.571 HD12 ' O ' ' A' ' 7' ' ' TYR . 2.2 mp -120.12 172.56 7.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 3.7 mttp -95.85 154.02 17.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.36 -34.15 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.08 -49.66 76.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.558 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.9 OUTLIER -76.83 -45.28 29.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.153 . . . . 0.0 110.998 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.825 HD11 HD12 ' A' ' 47' ' ' ILE . 14.3 tp -56.29 -40.4 74.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.474 1.109 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -52.07 -48.51 64.64 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.486 1.117 . . . . 0.0 110.326 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -33.19 71.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 111.022 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.527 HG22 ' HB3' ' A' ' 21' ' ' LYS . 70.8 t -71.73 -37.74 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.08 -44.56 95.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 p -59.22 -30.73 68.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.77 -9.28 55.24 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -58.2 -38.01 75.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 0.742 . . . . 0.0 109.264 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.527 ' HB3' HG22 ' A' ' 16' ' ' VAL . 3.2 tptm -74.8 121.4 21.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.05 -45.66 0.85 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.527 HD13 ' HD2' ' A' ' 68' ' ' PRO . 7.6 mt -108.03 117.09 52.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -101.02 111.09 23.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.405 HG21 HD13 ' A' ' 72' ' ' ILE . 5.1 t -99.27 125.82 52.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.52 156.0 13.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.543 HG22 ' HA3' ' A' ' 99' ' ' GLY . 40.1 t -46.07 118.44 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.502 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -41.67 -69.92 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.265 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' CD1' ' HD2' ' A' ' 30' ' ' PRO . 9.8 t80 60.57 141.85 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.573 ' HD2' ' CD1' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.0 82.87 1.91 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.782 . . . . 0.0 110.996 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.413 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 20.0 tp60 -171.14 -51.4 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.292 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 35' ' ' ILE . 3.1 mt -110.18 -24.74 10.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.3 -20.65 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -74.52 -24.4 58.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.625 HG23 HG21 ' A' ' 54' ' ' VAL . 0.7 OUTLIER -43.59 158.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -161.91 162.25 29.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.407 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -52.38 142.62 16.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.407 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 98.07 -19.97 52.4 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.024 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.487 ' HB2' HG21 ' A' ' 51' ' ' VAL . 3.5 m-20 -74.31 178.09 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.742 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.809 ' HD3' HD11 ' A' ' 42' ' ' ILE . 4.8 tttp -132.68 144.62 50.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.727 ' C ' HD13 ' A' ' 42' ' ' ILE . 18.0 mt -125.93 142.22 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.809 HD11 ' HD3' ' A' ' 40' ' ' LYS . 1.9 mm -120.95 109.85 26.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD2' HG11 ' A' ' 16' ' ' VAL . 24.5 m-85 -86.32 122.99 31.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 60.37 16.23 6.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.446 ' HA ' HG22 ' A' ' 42' ' ' ILE . 23.6 t0 49.3 67.89 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -169.11 -42.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.825 HD12 HD11 ' A' ' 13' ' ' LEU . 31.2 mt -110.23 110.7 58.26 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.301 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 156.38 43.13 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.97 152.35 33.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -112.48 147.87 35.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 110.281 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.487 HG21 ' HB2' ' A' ' 39' ' ' ASP . 39.2 t -83.27 115.8 26.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.646 HG22 ' HD2' ' A' ' 106' ' ' ARG . 5.1 t -80.58 -46.58 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -170.22 141.38 2.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.625 HG21 HG23 ' A' ' 35' ' ' ILE . 72.0 t -127.98 128.98 69.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -140.0 144.95 37.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.333 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.2 tttm -103.74 152.74 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 109.332 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -153.26 176.02 12.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -114.71 149.29 37.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.54 HG22 ' HG3' ' A' ' 61' ' ' ARG . 2.4 m 63.52 133.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 32.5 p90 -67.56 -35.73 79.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.54 ' HG3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -60.62 -40.02 90.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.298 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.439 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -57.2 -50.38 73.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.144 . . . . 0.0 110.321 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.533 ' CG2' HG13 ' A' ' 100' ' ' VAL . 51.8 t -60.56 -31.95 50.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mp -79.24 -14.62 58.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -89.39 -39.37 13.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -88.15 -62.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.249 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.53 155.93 90.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.527 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.1 Cg_endo -75.05 173.4 14.57 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.983 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.434 HG22 ' HD2' ' A' ' 77' ' ' PRO . 85.1 mt -117.4 -39.4 2.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -52.01 -39.13 58.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.4 mtmm -73.19 -53.99 9.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.515 HD12 ' O ' ' A' ' 68' ' ' PRO . 79.1 mt -52.83 -44.93 49.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -138.78 126.88 13.72 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -22.03 15.18 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.553 1.817 . . . . 0.0 110.983 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -59.72 -22.14 61.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.402 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 35.6 mtmt 59.15 64.9 2.95 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.434 ' HD2' HG22 ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.95 170.99 19.18 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.475 1.776 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.2 m -102.6 153.93 19.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.019 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -47.12 -39.8 14.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.81 -43.35 55.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.82 78.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.84 -41.16 44.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.753 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -58.76 -45.92 88.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.347 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.562 ' N ' HD13 ' A' ' 83' ' ' LEU . 3.2 tttt -71.09 -41.16 70.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.431 1.082 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -58.19 -46.25 86.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -85.13 59.89 5.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 178.81 -54.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.608 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -48.56 -58.05 5.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.242 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 7.4 ptm -42.32 126.35 3.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.019 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 50.84 93.26 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 110.996 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 124.86 8.96 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.513 1.796 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.12 -61.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 6.2 m-90 -74.72 151.64 39.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 107.975 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.1 41.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -143.88 -65.28 0.37 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.319 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -136.07 177.42 7.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.991 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.31 155.38 49.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -152.86 157.55 40.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.16 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.543 ' HA3' HG22 ' A' ' 27' ' ' VAL . . . 121.72 71.92 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.533 HG13 ' CG2' ' A' ' 63' ' ' VAL . 22.3 t -113.59 108.26 25.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 0.766 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.651 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -159.03 119.0 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -102.04 105.08 15.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.651 HG13 HD12 ' A' ' 101' ' ' LEU . 14.0 mt -103.56 124.18 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.8 mtpt -109.49 115.35 29.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.451 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.9 p90 -128.07 155.32 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.646 ' HD2' HG22 ' A' ' 52' ' ' VAL . 10.4 ptm180 -124.68 118.53 26.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -57.98 136.26 21.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.32 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 7.2 mt -99.47 79.24 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -157.82 -80.12 0.03 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.44 1.087 . . . . 0.0 110.982 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.8 169.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.485 0.756 . . . . 0.0 110.279 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -46.39 170.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 14.2 tptt 57.93 160.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tmm? . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.537 0.208 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -84.7 158.83 20.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.531 ' CG1' ' CG1' ' A' ' 42' ' ' ILE . 77.5 t -125.36 142.47 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -125.5 103.8 8.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.961 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.1 mtm180 -84.55 101.03 11.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.292 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.3 mt -99.15 123.11 43.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.667 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -82.32 116.8 21.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 7' ' ' TYR . 5.4 mp -121.77 174.17 7.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.437 ' O ' ' CB ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -99.08 169.22 9.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -68.52 -36.34 78.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.59 -46.28 86.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.598 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -78.74 -43.77 24.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 32.0 tp -52.85 -44.18 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -44.82 -41.84 7.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 110.336 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 11.1 mtt -62.05 -45.3 94.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.407 ' CG2' ' HE2' ' A' ' 21' ' ' LYS . 48.1 t -64.68 -43.56 96.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -40.43 97.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.2 p -59.25 -29.82 67.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.02 -8.7 59.47 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.514 1.133 . . . . 0.0 110.995 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -64.83 -37.36 87.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 0.774 . . . . 0.0 109.347 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HE2' ' CG2' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -75.19 107.45 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.81 -42.46 1.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.28 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.661 HD13 ' HD2' ' A' ' 68' ' ' PRO . 5.2 mt -101.79 125.9 55.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -100.86 111.21 23.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 72' ' ' ILE . 91.2 t -98.56 105.58 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.138 . . . . 0.0 109.282 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 -171.59 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.402 ' C ' ' N ' ' A' ' 29' ' ' TYR . 31.0 m -97.02 32.49 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . 42.36 31.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.52 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 2.8 t80 -46.25 151.63 0.93 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.52 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.04 83.46 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.65 -45.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.309 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.748 ' H ' HD12 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -105.8 -31.39 8.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.28 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -30.84 20.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.89 -29.2 65.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.674 HG22 ' O ' ' A' ' 32' ' ' LEU . 3.3 tt -43.35 164.79 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 ptmt -164.71 170.0 16.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.408 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 2.4 ttt180 -57.83 140.91 50.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.408 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.18 -28.05 14.02 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.542 1.151 . . . . 0.0 110.967 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.461 ' HB2' HG21 ' A' ' 51' ' ' VAL . 45.7 m-20 -73.97 -177.8 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.725 ' HG2' HD11 ' A' ' 42' ' ' ILE . 15.8 ttpt -135.95 146.72 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.439 ' C ' HD13 ' A' ' 42' ' ' ILE . 70.5 mt -128.16 125.29 64.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.725 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.6 mm -104.55 122.53 57.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' HD2' HD22 ' A' ' 8' ' ' LEU . 58.8 m-85 -94.38 116.16 28.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 67.1 15.07 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.1 t0 54.88 53.97 9.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.43 -50.08 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 mt -100.71 110.74 61.53 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 157.71 42.61 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.49 1.784 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.2 144.8 24.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.429 ' HB3' HD21 ' A' ' 108' ' ' LEU . 4.3 tt0 -108.26 139.76 42.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.461 HG21 ' HB2' ' A' ' 39' ' ' ASP . 20.4 t -73.32 118.61 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.462 HG22 ' HB2' ' A' ' 106' ' ' ARG . 13.0 t -83.07 -48.95 17.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -176.78 146.96 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 14.6 p -124.05 135.05 64.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.254 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.66 139.82 33.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -107.86 147.66 30.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.491 ' O ' HG13 ' A' ' 100' ' ' VAL . 42.6 m-85 -140.4 -174.31 3.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -111.98 124.47 52.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.163 . . . . 0.0 110.285 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.494 ' N ' HG11 ' A' ' 100' ' ' VAL . 2.3 m 69.29 130.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.364 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.452 ' O ' HD23 ' A' ' 64' ' ' LEU . 2.9 m-85 -54.46 -28.95 47.92 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -52.33 -48.18 65.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.276 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.406 ' HG2' ' NH2' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -56.6 -48.18 77.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.648 HG23 ' CG2' ' A' ' 100' ' ' VAL . 18.8 t -59.29 -29.13 41.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.684 HD12 HD11 ' A' ' 69' ' ' ILE . 2.4 mm? -77.51 -16.36 58.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.155 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.406 ' NH2' ' HG2' ' A' ' 62' ' ' GLN . 0.7 OUTLIER -88.47 -43.88 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.282 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 66' ' ' GLU . 0.0 OUTLIER -76.15 -59.25 2.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' HG2' HG21 ' A' ' 23' ' ' ILE . 22.3 mp0 -84.09 146.16 47.84 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.331 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.661 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.2 Cg_endo -75.01 174.95 11.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.684 HD11 HD12 ' A' ' 64' ' ' LEU . 4.3 mt -111.46 -33.36 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -58.09 -29.75 65.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.29 -52.26 6.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.585 HD13 HG21 ' A' ' 25' ' ' VAL . 81.9 mt -49.71 -40.34 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 72' ' ' ILE . 29.5 m-85 -146.97 137.59 12.55 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -26.21 11.09 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.964 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.39 -17.31 19.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 15.1 mtmt 48.08 64.21 8.98 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.04 -177.82 3.74 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.501 1.79 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.8 m -97.9 153.4 18.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.569 ' CE1' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -46.61 -41.18 14.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -75.13 -46.0 37.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.253 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.5 tttt -56.97 -52.93 63.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.517 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -50.93 -39.87 55.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.96 -34.92 71.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.86 -58.52 4.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -55.94 -30.7 62.07 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.298 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.517 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 0.4 OUTLIER -69.67 -51.67 32.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.967 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 57.8 t60 -66.2 -56.3 12.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 109.607 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -41.81 -52.01 4.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -56.8 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -116.98 93.75 42.77 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.105 . . . . 0.0 110.99 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.47 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.485 1.782 . . . . 0.0 111.018 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.9 144.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -52.86 -67.91 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -166.12 104.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -169.41 116.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.242 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -110.92 116.96 32.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 111.03 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.3 mpp_? -141.45 178.02 7.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.338 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -52.17 169.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -179.93 -50.76 0.08 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.121 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.648 ' CG2' HG23 ' A' ' 63' ' ' VAL . 2.6 p -43.8 119.56 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' ' 102' ' ' ALA . 0.4 OUTLIER -158.7 145.35 17.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.613 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -130.4 105.56 7.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.308 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.535 HG13 HD12 ' A' ' 101' ' ' LEU . 6.0 mt -101.44 116.67 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.6 mtpm? -99.47 112.56 24.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.513 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 4.7 p90 -126.68 151.28 48.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.462 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -119.88 104.02 9.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.8 p -52.84 130.11 13.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.429 HD21 ' HB3' ' A' ' 50' ' ' GLU . 3.2 mt -96.29 140.21 31.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 129.09 -85.16 0.32 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.75 172.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 0.756 . . . . 0.0 110.25 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 112' ' ' LYS . 12.6 t70 -40.64 157.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 52.5 tptt 57.62 161.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.442 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 24.5 tt0 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 ttt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.485 0.183 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -73.85 155.08 39.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.627 HG22 ' HE3' ' A' ' 40' ' ' LYS . 77.5 t -120.57 127.72 75.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.446 ' CE2' HD12 ' A' ' 35' ' ' ILE . 13.8 m-85 -116.58 103.63 10.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtt85 -83.0 103.37 12.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt -104.01 121.47 43.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.638 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -83.21 118.68 23.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.638 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.7 mp -123.11 -179.64 4.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -101.83 165.26 11.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 109.254 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.53 -38.16 88.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.4 -49.49 72.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -80.85 -46.58 15.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.49 -38.79 63.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.19 -40.29 32.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.454 ' CE ' ' HG2' ' A' ' 74' ' ' PRO . 14.3 mtt -61.46 -47.57 85.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.6 HG22 ' HB3' ' A' ' 21' ' ' LYS . 93.9 t -58.38 -41.3 81.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 109.359 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -65.66 -38.5 89.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.7 p -64.96 -26.43 68.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 99.39 -12.4 61.64 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -60.66 -33.92 73.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.46 0.741 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 16' ' ' VAL . 3.4 tptt -79.99 103.92 10.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.76 -44.02 2.65 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 48.5 mt -105.9 128.19 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -101.97 114.07 27.86 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.298 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.563 HG21 HD13 ' A' ' 72' ' ' ILE . 25.1 t -106.74 136.02 43.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.21 157.3 3.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.1 m -45.5 133.72 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -77.93 58.71 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.534 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -81.08 164.89 48.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.534 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.5 Cg_endo -74.93 84.46 1.65 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.12 -43.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.5 mt -113.27 -31.17 6.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.56 -25.05 23.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -70.79 -31.8 68.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.551 HG21 HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -40.48 152.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.9 pttp -156.18 174.3 15.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.451 ' HA ' HG12 ' A' ' 51' ' ' VAL . 10.7 ttt180 -68.2 142.99 55.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.264 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.16 -25.56 27.35 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.526 1.141 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -75.39 -175.32 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 0.734 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.627 ' HE3' HG22 ' A' ' 3' ' ' VAL . 0.1 OUTLIER -144.03 146.03 32.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.775 ' C ' HD13 ' A' ' 42' ' ' ILE . 6.0 mt -123.35 138.59 52.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.775 HD13 ' C ' ' A' ' 41' ' ' ILE . 1.7 mm -111.77 113.98 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -87.43 125.98 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 m120 57.85 17.67 4.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.45 ' OD1' ' CD1' ' A' ' 7' ' ' TYR . 0.2 OUTLIER 48.34 66.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tp -168.87 -43.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.5 mt -107.46 110.67 63.03 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 155.76 42.7 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.28 149.01 28.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -114.41 145.22 42.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.324 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 37' ' ' ARG . 89.6 t -78.55 113.82 18.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.458 HG22 ' CD ' ' A' ' 106' ' ' ARG . 8.2 t -77.56 -46.21 27.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -170.96 145.71 2.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.502 HG23 HG12 ' A' ' 103' ' ' ILE . 9.0 p -112.84 143.65 22.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -139.24 138.23 36.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.461 ' HG3' HD22 ' A' ' 101' ' ' LEU . 4.5 tttt -128.83 141.17 51.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.558 ' HD2' HG22 ' A' ' 63' ' ' VAL . 11.1 m-85 -137.67 -171.93 3.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.554 ' O ' HG11 ' A' ' 100' ' ' VAL . 3.0 mt-10 -107.64 -63.91 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.26 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 p -85.84 155.51 20.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -81.7 -41.97 20.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.86 -38.97 58.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.3 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.0 -35.56 80.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.744 HG21 HG23 ' A' ' 100' ' ' VAL . 23.9 t -65.1 -37.24 79.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 79' ' ' PHE . 9.0 mp -76.38 -6.67 52.66 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.258 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -94.19 -42.54 8.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.48 -47.69 10.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.102 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HG2' ' HB1' ' A' ' 102' ' ' ALA . 22.2 mp0 -92.76 146.2 31.75 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 173.39 14.6 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.503 1.791 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.428 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 47.7 mt -112.74 -33.03 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -60.05 -46.22 90.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.145 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 mmtt -66.32 -49.99 65.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.589 1.181 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.563 HD13 HG21 ' A' ' 25' ' ' VAL . 49.3 mt -56.65 -54.13 32.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -123.49 127.18 25.63 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.454 ' HG2' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.94 -18.63 18.73 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.532 1.806 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.36 -9.58 58.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.42 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 6.3 mtmp? 47.47 64.31 8.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.428 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 -177.39 3.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.9 m -101.6 153.23 19.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.991 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 64' ' ' LEU . 0.2 OUTLIER -46.65 -41.56 14.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 111.0 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.14 -44.78 45.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.239 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 7.1 tttt -58.88 -52.59 65.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.528 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -48.95 -41.09 32.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.86 -40.19 72.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 ttpt -60.69 -58.95 6.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -54.16 -48.66 70.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.528 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 1.0 OUTLIER -49.76 136.33 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 111.0 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER 82.94 -50.1 0.16 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.644 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 90' ' ' TYR . 1.1 t-20 -53.55 -173.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.411 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 70.7 mtm 65.11 -69.1 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 34.5 p90 -119.91 77.53 22.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 110.98 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 92' ' ' LYS . 18.4 Cg_endo -75.05 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.48 1.779 . . . . 0.0 111.021 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 91' ' ' PRO . 0.0 OUTLIER 87.46 -66.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 57.1 m95 -95.49 168.97 10.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 108.022 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -43.45 157.03 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -52.54 106.21 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -168.57 101.21 0.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.5 148.92 6.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.473 ' O ' ' CG ' ' A' ' 98' ' ' TYR . 1.6 p90 -174.28 128.77 0.36 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.527 1.142 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 139.43 120.37 1.77 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.442 1.089 . . . . 0.0 111.007 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.744 HG23 HG21 ' A' ' 63' ' ' VAL . 2.4 p -154.19 84.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.616 HD12 HG13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -148.45 120.31 8.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.419 ' HB1' ' HG2' ' A' ' 67' ' ' GLU . . . -106.85 108.15 19.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.616 HG13 HD12 ' A' ' 101' ' ' LEU . 48.5 mt -104.19 132.98 49.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -109.47 130.3 55.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.464 ' CD1' ' C ' ' A' ' 105' ' ' PHE . 3.2 p90 -145.5 150.9 37.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 110.985 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.458 ' CD ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -122.43 112.78 18.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.551 1.157 . . . . 0.0 110.312 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 107' ' ' VAL . 10.6 p -55.82 118.27 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.38 123.36 25.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 141.11 -89.06 0.18 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 0.0 110.981 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.5 163.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 0.765 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -51.56 172.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.92 178.58 4.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.292 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.1 ttt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.496 0.189 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.26 158.66 32.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.467 HG13 ' CG1' ' A' ' 42' ' ' ILE . 74.2 t -119.95 134.02 64.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -121.93 114.81 21.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 28.4 mtt-85 -87.85 105.29 17.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -104.23 125.66 50.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.351 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.548 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.4 m-85 -83.92 118.93 24.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 7' ' ' TYR . 1.4 mp -120.53 179.64 4.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -104.54 153.05 21.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.75 -27.64 51.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.28 -52.52 32.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.563 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.2 m-30 -74.98 -40.4 60.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.048 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.652 HD11 ' CD1' ' A' ' 47' ' ' ILE . 11.9 tp -58.11 -43.99 87.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.56 -49.23 14.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.265 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.29 -39.54 90.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 111.042 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.478 HG11 ' CD2' ' A' ' 43' ' ' PHE . 70.4 t -64.68 -38.72 83.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.4 -41.55 93.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.118 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 32.2 p -59.75 -23.69 63.43 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.442 1.089 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 94.05 -7.25 73.02 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mttt -62.53 -37.47 86.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -73.0 107.56 5.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.89 -40.88 2.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.512 HD13 ' CD ' ' A' ' 67' ' ' GLU . 66.6 mt -102.53 121.39 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -102.63 112.1 24.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.442 HG21 HD13 ' A' ' 72' ' ' ILE . 49.2 t -99.59 122.73 51.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -157.61 141.89 16.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 69.7 t -42.32 135.78 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 0.0 109.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.514 ' CB ' HD12 ' A' ' 101' ' ' LEU . . . -75.69 60.7 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.514 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -82.68 163.52 51.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.441 1.088 . . . . 0.0 111.036 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.514 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.99 81.88 2.12 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.495 1.787 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.401 ' C ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -174.01 -49.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.283 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.401 HD23 ' C ' ' A' ' 31' ' ' GLN . 2.7 mt -110.64 -24.23 10.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.291 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.5 -23.44 57.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.21 -29.96 63.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -42.28 159.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.97 163.9 23.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.286 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.09 135.72 56.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 109.95 -27.68 11.59 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.475 1.11 . . . . 0.0 110.972 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -74.36 -175.59 2.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 0.754 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' CD ' HD11 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -137.07 154.06 50.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.278 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.446 ' O ' HD13 ' A' ' 42' ' ' ILE . 24.6 mt -135.44 139.47 46.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.35 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.467 ' CG1' HG13 ' A' ' 3' ' ' VAL . 1.5 mm -120.13 116.0 49.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.478 ' CD2' HG11 ' A' ' 16' ' ' VAL . 39.9 m-85 -86.8 122.8 31.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.958 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' ND2' HD22 ' A' ' 13' ' ' LEU . 2.5 m-20 63.45 14.23 7.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.452 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.0 OUTLIER 52.64 56.93 6.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.111 . . . . 0.0 109.243 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.537 HD23 HD12 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -158.27 -46.6 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.652 ' CD1' HD11 ' A' ' 13' ' ' LEU . 3.0 mt -102.38 110.67 63.34 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.356 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 152.38 40.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.29 143.97 24.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.76 147.59 30.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.123 . . . . 0.0 110.284 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 46.5 t -77.98 121.86 31.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.3 t -89.84 -49.8 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.123 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -163.29 148.46 11.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 110.31 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG23 HG12 ' A' ' 103' ' ' ILE . 3.7 p -128.24 127.96 68.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.345 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.52 ' HD2' ' CE1' ' A' ' 57' ' ' TYR . 1.9 mmtp -142.81 149.08 38.15 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -126.69 151.99 47.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 109.325 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.52 ' CE1' ' HD2' ' A' ' 55' ' ' LYS . 45.6 m-85 -150.5 179.58 8.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.841 ' O ' HG22 ' A' ' 59' ' ' THR . 2.3 mt-10 -106.89 156.77 18.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 110.275 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 58' ' ' GLU . 14.7 t 52.99 167.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.609 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 18.5 p90 -99.63 -39.5 8.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.609 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -50.65 -36.28 34.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.528 ' H ' HG23 ' A' ' 59' ' ' THR . 0.4 OUTLIER -74.56 -52.64 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.254 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.494 HG21 HG23 ' A' ' 100' ' ' VAL . 3.0 t -51.77 -30.22 11.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' HG ' HD11 ' A' ' 69' ' ' ILE . 5.9 mp -73.36 -29.11 62.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' GLN . 2.1 mmp_? -77.2 -39.49 48.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 2.7 tt0 -76.52 -56.5 4.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.512 ' CD ' HD13 ' A' ' 23' ' ' ILE . 4.7 mm-40 -92.85 151.34 40.7 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.3 Cg_endo -74.97 172.58 16.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 22.5 mt -112.62 -31.3 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.24 -34.64 76.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -75.6 -56.17 4.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.361 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.442 HD13 HG21 ' A' ' 25' ' ' VAL . 48.5 mt -50.31 -44.62 23.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 65.3 m-85 -135.36 130.95 19.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 111.038 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 73' ' ' PHE . 18.4 Cg_endo -74.95 -22.13 15.24 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.51 1.795 . . . . 0.0 111.042 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.91 -20.58 52.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.5 mtpt 50.74 64.94 7.42 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.02 -169.97 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.486 1.782 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.9 m -111.86 153.48 26.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.021 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -47.37 -40.64 17.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -42.59 57.11 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -49.01 77.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.49 -37.25 67.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.107 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.56 -51.28 67.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 -54.84 8.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -41.66 -46.51 3.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -71.52 -50.95 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -54.43 -57.32 11.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.595 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.25 93.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.61 146.42 1.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 52.38 98.32 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 175.32 11.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 79.72 109.0 0.07 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.357 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 3.5 m-90 60.25 94.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.039 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' O ' ' CG ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -70.49 70.82 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.36 69.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.57 170.49 22.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.989 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.88 141.71 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 98' ' ' TYR . 24.8 p90 -170.65 116.56 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -139.44 144.52 15.33 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 0.0 110.997 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.494 HG23 HG21 ' A' ' 63' ' ' VAL . 9.1 p -156.75 56.31 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 0.758 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.755 HD22 HG13 ' A' ' 103' ' ' ILE . 2.4 tt -122.86 130.91 53.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.352 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.529 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -110.34 104.62 13.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.755 HG13 HD22 ' A' ' 101' ' ' LEU . 40.7 mt -99.58 133.05 43.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -116.1 113.44 23.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 2.9 p90 -126.91 153.3 45.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 3.7 ttp180 -121.56 114.41 21.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 107' ' ' VAL . 14.9 p -57.92 119.09 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 6.1 mt -73.38 101.95 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 73.87 107.26 0.08 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -92.68 166.57 12.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 0.759 . . . . 0.0 110.266 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -40.95 159.18 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.95 174.07 6.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 110.28 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.544 0.211 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 40' ' ' LYS . 5.1 tttt -113.07 165.1 12.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.482 HG13 ' CG1' ' A' ' 42' ' ' ILE . 66.1 t -121.67 138.45 51.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.108 . . . . 0.0 109.252 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -126.55 114.36 18.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 51.5 mtm180 -86.15 103.06 14.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.293 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.8 mt -105.18 118.02 35.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.492 ' O ' HD12 ' A' ' 8' ' ' LEU . 7.1 m-85 -81.3 117.09 21.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.492 HD12 ' O ' ' A' ' 7' ' ' TYR . 2.7 mp -118.95 176.73 5.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -98.05 148.22 23.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -54.27 -28.57 42.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -67.25 -51.83 48.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.537 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.3 m-30 -75.38 -43.92 47.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.574 HD11 HD12 ' A' ' 47' ' ' ILE . 8.4 tp -53.21 -42.64 66.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -44.69 -49.05 10.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -56.62 -45.29 81.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.721 HG22 ' HB3' ' A' ' 21' ' ' LYS . 46.2 t -60.24 -44.92 96.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.348 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -59.44 -40.93 88.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.5 p -64.72 -29.35 70.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.19 -21.08 31.92 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.439 1.087 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -50.9 -47.86 60.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.721 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.4 OUTLIER -66.54 110.8 3.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.352 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.9 mmm-85 -127.14 -44.8 1.58 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.282 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 26.5 mt -106.65 125.46 62.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' OE1' ' N ' ' A' ' 25' ' ' VAL . 6.4 tp10 -109.35 114.8 28.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.536 HG13 ' O ' ' A' ' 101' ' ' LEU . 97.0 t -108.11 101.63 12.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 109.369 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.74 ' O ' HG12 ' A' ' 27' ' ' VAL . 1.6 tpt180 -140.12 68.2 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 110.282 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.74 HG12 ' O ' ' A' ' 26' ' ' ARG . 6.2 p 50.77 178.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.716 ' H ' HG22 ' A' ' 27' ' ' VAL . . . -126.73 58.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.569 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -84.61 169.26 17.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.569 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -75.05 84.82 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.79 -55.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -136.98 15.6 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -82.18 -31.9 30.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.405 ' N ' ' HD2' ' A' ' 33' ' ' LYS . 1.1 t70 -72.76 -26.85 61.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 32' ' ' LEU . 5.5 tt -45.98 154.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.8 pttt -158.72 179.76 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -59.77 141.42 55.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.297 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.57 -18.29 38.28 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.06 177.1 6.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 0.767 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 41' ' ' ILE . 16.1 ttpt -130.09 145.48 51.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.489 HD11 HD13 ' A' ' 35' ' ' ILE . 58.6 mt -127.7 133.2 68.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.482 ' CG1' HG13 ' A' ' 3' ' ' VAL . 3.2 mm -114.45 123.91 70.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.56 ' CD2' HG11 ' A' ' 16' ' ' VAL . 22.3 m-85 -97.64 127.69 43.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 110.971 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.0 m120 59.61 16.92 5.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 0.2 OUTLIER 48.71 60.45 3.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.9 tp -160.03 -51.64 0.05 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.574 HD12 HD11 ' A' ' 13' ' ' LEU . 6.3 mt -102.3 111.37 64.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.62 42.77 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.06 146.33 26.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 1.094 . . . . 0.0 109.291 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -108.99 143.19 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.337 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.2 t -78.0 113.41 17.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.5 t -79.42 -49.03 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -170.99 145.24 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 110.315 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.762 HG23 HG12 ' A' ' 103' ' ' ILE . 7.1 p -115.75 139.85 40.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -140.09 137.05 34.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -125.74 141.41 52.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.467 ' HB2' ' CG1' ' A' ' 100' ' ' VAL . 41.0 m-85 -132.48 -175.53 3.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 110.99 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -112.33 -45.31 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 63' ' ' VAL . 40.6 m -92.46 126.56 37.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.396 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 52.0 p90 -65.55 -38.95 91.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -61.51 -45.23 95.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.564 1.165 . . . . 0.0 110.284 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.59 -36.11 73.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.904 HG21 HG13 ' A' ' 100' ' ' VAL . 49.7 t -58.52 -38.23 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.587 HD12 ' CG1' ' A' ' 69' ' ' ILE . 2.3 mm? -71.65 -21.6 61.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HA ' ' NE ' ' A' ' 65' ' ' ARG . 1.7 mmp_? -80.54 -44.92 18.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.75 -60.75 2.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.314 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -77.18 148.94 78.84 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.533 ' O ' HD12 ' A' ' 72' ' ' ILE . 18.5 Cg_endo -74.94 173.4 14.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.465 1.771 . . . . 0.0 111.053 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.587 ' CG1' HD12 ' A' ' 64' ' ' LEU . 4.6 mt -112.23 -36.82 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -53.22 -45.44 68.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -70.82 -55.9 7.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 68' ' ' PRO . 60.5 mt -48.55 -55.76 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -122.27 128.2 25.59 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -28.14 9.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.522 1.801 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.5 -15.16 35.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.409 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 7.4 mtmt 53.66 64.33 6.86 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.02 173.36 14.65 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.502 1.79 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.8 m -94.41 154.3 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -46.8 -41.11 14.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -44.13 47.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.112 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -52.72 64.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.01 -39.84 28.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 83' ' ' LEU . 0.4 OUTLIER -61.72 -41.2 97.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.326 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.413 ' N ' HD13 ' A' ' 83' ' ' LEU . 6.2 ttmt -74.14 -47.17 37.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 4.4 tpt180 -49.41 -46.71 47.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 110.345 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.86 -41.31 95.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -68.99 -62.39 1.4 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 109.591 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.31 108.96 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 1.2 tpt -174.03 -52.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 110.962 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 52.9 m-85 -108.73 154.92 41.45 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 66.59 6.01 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.565 1.824 . . . . 0.0 111.029 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 15.7 mttm 67.13 -77.94 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 2.3 t90 76.56 -62.85 0.4 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.588 1.18 . . . . 0.0 107.995 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.93 145.61 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.265 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.36 123.79 22.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -175.98 -176.62 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 110.97 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.77 136.26 48.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -56.64 165.81 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.983 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.504 ' HA3' HG23 ' A' ' 27' ' ' VAL . . . -66.24 148.65 50.99 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.445 1.091 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.904 HG13 HG21 ' A' ' 63' ' ' VAL . 66.1 t -118.18 102.48 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.567 HD13 ' N ' ' A' ' 102' ' ' ALA . 0.6 OUTLIER -159.07 143.88 15.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.567 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -148.19 106.47 3.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.762 HG12 HG23 ' A' ' 54' ' ' VAL . 39.3 mt -104.28 131.35 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -99.83 117.46 34.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.496 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 5.2 p90 -129.61 152.51 49.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.969 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.433 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 5.8 mtp180 -125.94 122.82 37.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.093 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.462 HG12 ' CZ ' ' A' ' 110' ' ' ARG . 13.8 p -64.44 121.48 13.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mt -76.76 97.35 4.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 110' ' ' ARG . . . 162.59 -100.38 0.18 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.462 ' CZ ' HG12 ' A' ' 107' ' ' VAL . 0.0 OUTLIER -38.93 149.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.336 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.404 ' CG ' ' N ' ' A' ' 112' ' ' LYS . 0.1 OUTLIER 57.37 162.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.404 ' N ' ' CG ' ' A' ' 111' ' ' ASP . 11.5 ttpt 56.3 166.14 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.232 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.6 ttt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.48 0.181 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -86.57 166.58 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.526 HG13 ' CG1' ' A' ' 42' ' ' ILE . 65.0 t -120.02 133.61 66.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.524 ' HB3' HD21 ' A' ' 6' ' ' LEU . 67.1 m-85 -125.1 121.19 33.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -93.84 92.35 7.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.282 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.587 HD23 ' N ' ' A' ' 6' ' ' LEU . 3.8 mt -86.61 119.98 27.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.07 . . . . 0.0 109.281 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.72 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -81.23 116.14 20.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.995 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.72 HD12 ' O ' ' A' ' 7' ' ' TYR . 9.7 mp -127.37 169.3 13.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.36 162.35 13.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.83 -31.35 71.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.56 -50.12 72.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.142 . . . . 0.0 110.335 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.4 m-85 -79.27 -45.45 19.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.56 HD11 HD12 ' A' ' 47' ' ' ILE . 12.0 tp -53.28 -43.88 67.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -45.72 -41.48 10.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.06 -44.1 97.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' A' ' 21' ' ' LYS . 88.8 t -60.92 -38.48 79.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.178 . . . . 0.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -61.86 -47.59 84.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.346 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.0 p -59.01 -28.12 66.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.41 ' O ' ' CD ' ' A' ' 22' ' ' ARG . . . 102.97 -13.73 56.02 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.517 1.136 . . . . 0.0 110.976 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -54.34 -51.11 65.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 0.743 . . . . 0.0 109.336 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.624 ' HB3' HG22 ' A' ' 16' ' ' VAL . 1.9 tptp -57.14 107.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.107 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' CD ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -123.6 -42.29 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.323 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.1 mt -113.55 113.49 44.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -106.12 111.21 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.44 HG22 ' HA ' ' A' ' 102' ' ' ALA . 34.6 t -106.86 101.25 12.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.11 58.84 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 28' ' ' ALA . 61.4 t 61.33 159.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.628 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -96.97 56.38 1.41 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -45.48 157.14 0.38 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -3.16 13.51 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.531 1.806 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.16 -3.25 12.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 94.6 mt -118.3 -49.31 2.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.22 -26.49 4.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.11 -29.43 70.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.575 HG21 ' CD1' ' A' ' 103' ' ' ILE . 0.4 OUTLIER -41.4 152.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.331 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.87 159.53 39.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -58.58 133.25 55.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.45 -10.09 53.6 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.557 ' HB2' HG21 ' A' ' 51' ' ' VAL . 11.8 m-20 -78.03 -177.78 5.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.819 ' HG2' HD11 ' A' ' 42' ' ' ILE . 12.3 ttpt -135.63 135.04 39.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.984 ' C ' HD13 ' A' ' 42' ' ' ILE . 42.6 mt -116.8 134.14 61.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.984 HD13 ' C ' ' A' ' 41' ' ' ILE . 1.0 OUTLIER -114.8 106.43 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.545 ' CD2' HG21 ' A' ' 16' ' ' VAL . 28.7 m-85 -79.39 123.86 27.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.984 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 5.8 m120 61.1 14.71 5.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 14.7 t70 52.39 64.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 19.7 tp -167.1 -42.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.56 HD12 HD11 ' A' ' 13' ' ' LEU . 9.0 mt -106.34 110.61 64.02 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 153.75 42.08 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.514 1.797 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.53 151.71 33.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -112.77 145.11 41.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 110.288 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.557 HG21 ' HB2' ' A' ' 39' ' ' ASP . 15.6 t -78.04 125.32 37.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.15 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.47 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 7.0 t -91.54 -47.35 14.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 109.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -168.22 146.3 4.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.79 138.23 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.295 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -137.01 153.18 50.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -125.19 140.29 52.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.348 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.472 ' HB2' ' CG2' ' A' ' 100' ' ' VAL . 50.1 m-85 -138.26 -170.46 2.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -120.16 177.15 5.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 67.2 p 40.72 -138.46 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.499 ' CG ' ' N ' ' A' ' 61' ' ' ARG . 45.7 p90 -143.07 -45.62 0.3 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.499 ' N ' ' CG ' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -53.28 -38.86 63.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.283 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -59.93 -42.19 93.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.77 HG21 HG23 ' A' ' 100' ' ' VAL . 4.8 t -61.0 -31.97 51.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.745 HD23 HD11 ' A' ' 69' ' ' ILE . 5.8 mp -74.35 -21.91 59.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.468 ' CG ' ' HD3' ' A' ' 61' ' ' ARG . 5.5 mmm180 -86.79 -42.33 13.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -73.41 -63.26 1.23 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -90.53 153.82 46.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 175.13 11.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.745 HD11 HD23 ' A' ' 64' ' ' LEU . 34.0 mt -113.43 -36.78 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -53.9 -41.96 68.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -72.36 -56.74 4.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 55.7 mt -46.29 -49.58 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -134.45 128.33 19.14 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -23.71 13.52 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 110.994 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.02 -17.39 24.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 52.48 68.17 3.33 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.339 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.411 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.5 Cg_endo -74.96 178.99 6.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.537 1.809 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 70.4 m -108.16 155.53 20.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.978 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -48.08 -39.01 18.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.016 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -40.81 63.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.63 -42.08 87.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.257 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.22 70.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.628 HD23 ' N ' ' A' ' 84' ' ' LYS . 0.4 OUTLIER -67.61 -45.77 74.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.628 ' N ' HD23 ' A' ' 83' ' ' LEU . 4.0 tptt -72.44 -50.62 24.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.93 -48.62 11.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -77.34 56.53 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -178.44 -51.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.56 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -64.52 87.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.1 -177.13 5.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 90' ' ' TYR . 9.9 p90 -130.72 71.82 82.17 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -54.92 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.459 1.768 . . . . 0.0 110.994 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -169.53 70.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.452 ' CB ' ' O ' ' A' ' 92' ' ' LYS . 1.2 t-105 83.2 -66.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.021 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 19.3 tttt -164.24 150.72 11.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -166.37 167.91 15.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.82 159.48 19.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.438 1.086 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.8 155.3 29.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 9.3 t80 173.69 154.96 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 114.18 132.78 5.49 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.568 1.168 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.77 HG23 HG21 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -161.4 102.68 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 109.334 179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.628 ' HB2' ' HB2' ' A' ' 28' ' ' ALA . 0.1 OUTLIER -158.76 119.48 3.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.269 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.44 ' HA ' HG22 ' A' ' 25' ' ' VAL . . . -105.89 105.1 14.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.575 ' CD1' HG21 ' A' ' 35' ' ' ILE . 34.5 mt -97.33 131.83 43.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 19.0 mtpt -110.87 117.37 33.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.523 ' CZ ' ' CZ ' ' A' ' 43' ' ' PHE . 41.9 p90 -130.09 156.45 44.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 0.1 OUTLIER -123.13 110.28 15.09 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.132 . . . . 0.0 110.287 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -53.55 128.32 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 4.3 mt -85.34 107.33 17.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.569 1.168 . . . . 0.0 109.241 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 135.42 -96.97 0.27 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.92 167.53 2.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 0.794 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -161.34 158.95 27.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -144.65 -178.35 5.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ttt . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.53 0.205 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.6 OUTLIER -103.51 158.56 16.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.264 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.514 HG13 ' CG1' ' A' ' 42' ' ' ILE . 46.2 t -115.34 137.51 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CG ' HD12 ' A' ' 35' ' ' ILE . 33.6 m-85 -127.27 109.32 11.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' C ' HD23 ' A' ' 6' ' ' LEU . 78.4 mtm180 -89.26 100.14 12.99 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.509 HD23 ' N ' ' A' ' 6' ' ' LEU . 5.1 mt -97.68 123.91 41.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.699 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.5 m-85 -80.95 116.5 20.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.699 HD12 ' O ' ' A' ' 7' ' ' TYR . 6.3 mp -122.81 178.88 4.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.02 153.4 20.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.51 -40.45 62.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -56.81 -52.01 66.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.528 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.4 m-30 -71.97 -48.03 47.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.529 HD11 ' CD1' ' A' ' 47' ' ' ILE . 16.3 tp -53.35 -42.92 67.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -44.87 -48.66 11.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -42.64 90.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.997 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.7 HG11 ' CD2' ' A' ' 43' ' ' PHE . 91.3 t -63.81 -47.67 89.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.38 -42.09 86.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.304 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.9 p -59.34 -26.58 65.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 109.943 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.85 -20.87 46.07 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -52.9 -44.21 66.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 0.751 . . . . 0.0 109.313 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.6 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -71.85 106.36 4.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -122.42 -40.57 2.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.11 . . . . 0.0 110.286 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.487 HG22 HG23 ' A' ' 25' ' ' VAL . 33.4 mt -107.52 127.33 63.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.16 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -109.56 111.17 22.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.756 HG22 ' HA ' ' A' ' 102' ' ' ALA . 97.1 t -125.0 131.92 71.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.68 -68.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.7 m -150.15 179.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HA ' HD12 ' A' ' 101' ' ' LEU . . . -127.47 27.43 5.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 1.4 t80 -42.09 153.19 0.29 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.989 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.04 91.34 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.478 1.778 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.18 -44.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 110.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.582 ' O ' HG22 ' A' ' 35' ' ' ILE . 0.1 OUTLIER -106.59 -35.75 6.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.88 -31.72 7.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -58.96 -33.63 70.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.588 HD12 ' CG ' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -42.25 162.46 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 109.343 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.8 ' HA ' HG11 ' A' ' 54' ' ' VAL . 0.1 OUTLIER -167.38 -178.24 3.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -69.65 148.65 49.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 110.279 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 92.2 -5.51 78.28 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.528 1.142 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' HB2' HG21 ' A' ' 51' ' ' VAL . 98.6 m-20 -94.39 -179.88 5.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 0.755 . . . . 0.0 109.299 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.755 ' HG2' HD11 ' A' ' 42' ' ' ILE . 12.8 ttpt -134.14 141.5 47.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.569 ' C ' HD13 ' A' ' 42' ' ' ILE . 28.5 mt -122.56 132.47 71.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.755 HD11 ' HG2' ' A' ' 40' ' ' LYS . 1.5 mm -112.59 111.19 35.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.327 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.7 ' CD2' HG11 ' A' ' 16' ' ' VAL . 29.1 m-85 -80.6 120.68 24.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 m120 60.06 17.92 7.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.6 t0 51.55 60.77 3.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 4.1 tp -159.64 -50.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.529 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.3 mt -101.31 110.73 62.27 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.272 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 153.1 41.33 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.11 146.58 26.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -110.17 141.92 42.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 110.312 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.431 HG21 ' HB2' ' A' ' 39' ' ' ASP . 14.8 t -74.46 123.47 29.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.437 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 13.6 t -90.32 -47.39 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -167.12 144.17 4.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 110.311 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.8 HG11 ' HA ' ' A' ' 36' ' ' LYS . 7.4 p -128.02 134.43 65.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -142.96 149.68 38.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 ttpp -114.82 150.54 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.437 ' HB2' HG22 ' A' ' 63' ' ' VAL . 94.5 m-85 -141.63 -170.91 3.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -129.4 127.23 40.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.2 m 74.12 124.14 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.365 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.457 ' O ' HD13 ' A' ' 64' ' ' LEU . 46.8 p90 -57.31 -30.62 64.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -36.6 78.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.85 -47.26 60.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.963 HG21 HG23 ' A' ' 100' ' ' VAL . 89.3 t -53.68 -33.34 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.457 HD13 ' O ' ' A' ' 60' ' ' PHE . 6.0 mp -69.53 -24.97 63.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -87.46 -40.97 13.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.306 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -73.72 -61.25 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -91.47 156.62 43.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 173.08 15.11 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.422 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 57.7 mt -114.87 -38.7 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -51.5 -30.01 18.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.317 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -82.69 -51.4 7.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 84.4 mt -53.66 -61.68 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -118.99 128.91 25.69 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 110.993 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -20.78 16.43 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -15.45 46.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 9.6 mtmm 52.62 64.47 7.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.422 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -75.07 174.44 12.8 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.488 1.783 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -104.65 152.39 22.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -47.14 -41.19 17.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.04 -40.52 60.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 110.3 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.8 tttm -63.75 -47.55 80.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -52.58 -35.84 54.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.11 -52.39 64.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -54.92 9.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -41.05 -47.01 3.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 110.281 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -84.56 50.77 1.96 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 30.6 t-80 -173.14 -41.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.612 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -73.24 79.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.169 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 4.0 mtt -140.77 164.93 28.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 58.59 156.44 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -24.26 13.04 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.444 1.76 . . . . 0.0 111.035 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -77.45 116.53 18.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.3 m-90 -73.33 72.87 1.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 107.997 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -176.69 81.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.331 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.1 136.37 38.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 110.311 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -66.23 -59.52 3.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 74.06 103.05 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.334 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -176.94 141.5 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.12 137.48 4.54 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.963 HG23 HG21 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -154.59 111.37 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 0.769 . . . . 0.0 109.325 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -158.73 130.13 6.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.756 ' HA ' HG22 ' A' ' 25' ' ' VAL . . . -112.13 107.34 16.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 0.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.9 mt -102.66 125.04 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 10.6 mtpt -108.32 115.23 29.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.466 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 7.1 p90 -128.84 153.18 47.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.437 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 3.3 mtt180 -123.81 109.59 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.2 p -53.31 127.04 10.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -80.15 93.07 5.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 159.58 -145.77 11.85 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.8 ttt85 59.39 153.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.332 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.75 147.48 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 113' ' ' GLU . 0.1 OUTLIER 59.13 158.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.469 ' N ' ' HG3' ' A' ' 112' ' ' LYS . 15.4 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.339 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttt . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.514 0.197 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 0.6 OUTLIER -73.66 162.37 29.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.323 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.645 HG13 HD11 ' A' ' 42' ' ' ILE . 74.9 t -121.61 123.69 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.418 ' CD2' HD12 ' A' ' 35' ' ' ILE . 10.3 m-85 -110.86 118.17 35.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -94.13 108.85 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 13.6 mt -103.37 122.62 45.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.734 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -80.82 116.32 20.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.945 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.734 HD12 ' O ' ' A' ' 7' ' ' TYR . 7.5 mp -124.77 169.56 11.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -99.39 149.13 23.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.5 -27.48 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -60.81 -54.52 44.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.534 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 0.7 OUTLIER -82.69 -39.59 21.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 111.016 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.664 HD22 ' ND2' ' A' ' 44' ' ' ASN . 8.8 tp -53.63 -51.02 64.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -45.13 -41.62 8.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 1.143 . . . . 0.0 110.331 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.85 -38.86 89.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 111.02 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.85 HG22 ' HB3' ' A' ' 21' ' ' LYS . 58.2 t -69.83 -40.18 78.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.431 ' HG2' HD13 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -63.88 -38.14 89.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.5 p -64.85 -27.45 68.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 109.968 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.34 -24.37 22.72 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.505 1.128 . . . . 0.0 110.99 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -48.33 -56.48 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.85 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -59.84 114.27 2.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.453 1.095 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.555 ' O ' ' CD2' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -129.74 -44.04 1.22 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.322 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 56.7 mt -111.47 119.89 60.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -105.82 120.67 42.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 101' ' ' LEU . 1.4 p -108.61 135.03 48.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.538 ' O ' HG12 ' A' ' 27' ' ' VAL . 7.2 ttt180 -177.95 83.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.759 HG22 ' H ' ' A' ' 28' ' ' ALA . 2.4 p 44.9 -169.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.759 ' H ' HG22 ' A' ' 27' ' ' VAL . . . -137.71 78.57 1.7 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.0 OUTLIER -90.1 170.1 11.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 0.31 9.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.455 1.766 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.45 ' NE2' ' O ' ' A' ' 31' ' ' GLN . 18.3 tp60 -105.76 2.25 27.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.3 mt -145.26 -52.63 0.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -49.78 -30.45 9.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.9 -33.96 76.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.512 HG21 HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -47.14 158.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.36 166.73 6.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.5 ttt-85 -56.32 136.94 53.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.266 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.54 -22.63 28.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 2' ' ' LYS . 0.8 OUTLIER -82.14 -171.9 3.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 0.736 . . . . 0.0 109.321 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.633 ' CD ' HD11 ' A' ' 42' ' ' ILE . 10.6 ttmm -141.02 140.26 34.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.524 ' C ' HD13 ' A' ' 42' ' ' ILE . 65.4 mt -117.67 140.49 40.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.645 HD11 HG13 ' A' ' 3' ' ' VAL . 1.2 mm -122.0 122.51 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.27 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.51 ' CD2' HG11 ' A' ' 16' ' ' VAL . 62.1 m-85 -96.29 118.71 33.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.664 ' ND2' HD22 ' A' ' 13' ' ' LEU . 2.2 m-20 65.77 14.59 9.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 60.0 t0 52.94 58.24 5.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.33 -48.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.431 HD13 ' HG2' ' A' ' 17' ' ' LYS . 3.9 mt -101.53 110.4 61.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 155.38 42.76 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.473 1.775 . . . . 0.0 110.98 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -150.91 149.32 29.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -109.17 138.25 45.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 t -73.65 124.59 31.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.7 HG21 ' HD3' ' A' ' 106' ' ' ARG . 20.2 t -90.0 -49.13 14.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -174.06 149.14 1.43 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 3.8 p -122.29 137.9 54.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.301 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 136.97 36.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HA ' HD22 ' A' ' 101' ' ' LEU . 7.2 tttp -118.88 140.84 49.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.4 ' OH ' ' CD ' ' A' ' 66' ' ' GLU . 57.8 m-85 -142.63 -170.85 3.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' C ' ' HG1' ' A' ' 59' ' ' THR . 11.6 pt-20 -115.44 -172.91 2.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.405 ' HG1' ' C ' ' A' ' 58' ' ' GLU . 62.3 p 38.16 -157.22 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.433 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.494 ' CE2' ' CE1' ' A' ' 87' ' ' HIS . 28.1 m-85 -117.9 -49.94 2.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.0 OUTLIER -51.03 -38.88 54.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 28.4 tp60 -50.6 -55.26 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.658 ' CG2' HG23 ' A' ' 100' ' ' VAL . 2.6 t -61.51 -32.39 53.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.552 HD23 HD11 ' A' ' 69' ' ' ILE . 8.5 mp -75.69 -20.82 58.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 61' ' ' ARG . 7.7 mmm180 -88.26 -41.0 13.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.4 ' CD ' ' OH ' ' A' ' 57' ' ' TYR . 1.0 OUTLIER -75.82 -60.38 2.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.264 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HG3' ' HB1' ' A' ' 102' ' ' ALA . 26.6 mm-40 -93.17 148.54 35.86 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.26 10.16 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.552 HD11 HD23 ' A' ' 64' ' ' LEU . 31.3 mt -110.32 -28.8 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -60.5 -41.39 94.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -74.52 -56.12 5.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.466 HG22 ' CE1' ' A' ' 73' ' ' PHE . 45.2 mt -50.84 -43.09 24.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.466 ' CE1' HG22 ' A' ' 72' ' ' ILE . 21.1 m-85 -137.33 121.73 12.24 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.093 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.26 17.03 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.446 1.761 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.12 -21.22 58.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 9.1 mtmt 56.13 64.51 5.0 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.453 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.0 -175.45 2.37 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 m -102.95 151.83 22.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.991 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -46.89 -41.28 15.6 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.99 -43.24 55.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.263 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -52.21 65.61 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.41 -39.35 32.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.46 ' O ' ' CD2' ' A' ' 87' ' ' HIS . 0.5 OUTLIER -63.7 -51.83 63.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -55.1 -50.07 70.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.454 1.096 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -44.05 87.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.138 . . . . 0.0 110.278 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.428 ' CE2' HD11 ' A' ' 64' ' ' LEU . 1.9 m-85 -67.31 -13.27 61.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 111.038 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.494 ' CE1' ' CE2' ' A' ' 60' ' ' PHE . 30.7 m-70 -117.81 26.76 9.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.644 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -144.79 -67.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.465 ' HG3' ' CE2' ' A' ' 98' ' ' TYR . 1.2 mmt 47.63 -175.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 91' ' ' PRO . 20.7 m-85 -46.14 146.73 2.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.031 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 90' ' ' TYR . 18.3 Cg_endo -75.04 -50.57 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.529 1.805 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 46.53 -159.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -92.06 79.35 5.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 108.015 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 61.49 117.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 177.01 121.15 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.277 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.19 -51.34 1.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 5.0 mtp180 -41.22 150.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.333 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.47 ' HE1' HG22 ' A' ' 25' ' ' VAL . 2.4 t80 -129.75 -60.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.992 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 116.91 -154.1 16.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.658 HG23 ' CG2' ' A' ' 63' ' ' VAL . 2.9 p -165.11 98.24 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.511 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -155.33 141.38 18.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.505 ' HB1' ' HG3' ' A' ' 67' ' ' GLU . . . -135.52 108.35 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.512 HD13 HG21 ' A' ' 35' ' ' ILE . 36.5 mt -101.3 132.01 47.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.272 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.5 116.22 31.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CD2' ' O ' ' A' ' 22' ' ' ARG . 21.2 p90 -130.88 152.91 49.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.974 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.7 ' HD3' HG21 ' A' ' 52' ' ' VAL . 0.9 OUTLIER -121.35 116.18 24.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.238 179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 4.5 p -61.12 135.75 25.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.1 mt -99.59 89.8 4.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 175.91 -84.4 0.07 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 111.034 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.35 159.38 1.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.54 0.788 . . . . 0.0 110.303 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.07 168.6 17.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -105.98 173.83 6.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.324 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttt . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.467 0.175 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -87.01 153.57 21.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.529 HG13 HG12 ' A' ' 42' ' ' ILE . 54.9 t -111.53 136.66 46.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 109.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.569 ' CE1' HD12 ' A' ' 35' ' ' ILE . 23.1 m-85 -125.22 105.25 8.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 72.8 mtm180 -81.83 94.05 6.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 110.294 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.5 mt -94.63 122.32 37.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -84.78 116.96 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.947 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 7' ' ' TYR . 4.0 mp -121.62 169.98 10.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -89.29 157.26 18.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.368 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.28 -33.62 71.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.77 -53.07 62.47 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.271 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.56 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -77.73 -46.27 22.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD22 ' ND2' ' A' ' 44' ' ' ASN . 7.4 tp -52.95 -43.05 66.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -45.56 -48.04 14.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.282 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.4 mtt -58.03 -44.88 87.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.997 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 62.1 t -58.53 -38.82 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.22 -41.57 94.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 109.316 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.0 p -59.12 -37.0 76.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.012 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.63 -1.94 34.27 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -67.84 -42.96 80.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.26 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 124.52 22.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -142.13 -46.33 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.288 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.464 HD13 ' HD2' ' A' ' 68' ' ' PRO . 3.3 mp -98.3 126.83 51.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' C ' ' CD ' ' A' ' 24' ' ' GLU . 0.0 OUTLIER -108.54 111.07 22.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.28 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 m -106.51 111.3 34.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -162.23 167.52 23.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.478 ' HB ' ' CE2' ' A' ' 29' ' ' TYR . 78.5 t -45.06 129.48 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.758 ' CB ' HD13 ' A' ' 101' ' ' LEU . . . -75.58 59.58 1.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.532 ' HB2' HD12 ' A' ' 32' ' ' LEU . 23.2 m-85 -54.94 161.72 2.23 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -12.77 21.49 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.517 1.799 . . . . 0.0 111.003 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 8.66 37.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.123 . . . . 0.0 110.302 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.532 HD12 ' HB2' ' A' ' 29' ' ' TYR . 16.9 mt -135.85 -53.02 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.459 ' HA ' HD21 ' A' ' 101' ' ' LEU . 1.5 pptp? -50.36 -31.59 15.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.77 -27.4 64.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.569 HD12 ' CE1' ' A' ' 4' ' ' TYR . 0.5 OUTLIER -50.41 153.24 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -164.6 177.4 8.11 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.22 131.83 48.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.94 -17.52 35.25 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.31 -179.67 7.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 0.764 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.603 ' HG2' HD11 ' A' ' 42' ' ' ILE . 17.6 ttpt -138.19 144.41 40.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 49' ' ' ALA . 63.1 mt -129.02 127.61 66.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.603 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.5 mm -106.57 114.87 46.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.571 ' CD2' HD22 ' A' ' 8' ' ' LEU . 15.1 m-85 -86.81 126.54 34.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.023 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.579 ' ND2' HD22 ' A' ' 13' ' ' LEU . 3.9 m120 60.54 15.96 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.321 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.8 t70 51.27 59.25 4.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 27.6 tp -161.87 -48.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.471 HD12 HD11 ' A' ' 13' ' ' LEU . 5.5 mt -104.12 110.53 64.24 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.401 ' HB3' HD12 ' A' ' 42' ' ' ILE . 18.1 Cg_endo -75.05 160.5 39.93 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.519 1.799 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.448 ' HB1' ' HD1' ' A' ' 105' ' ' PHE . . . -151.01 147.18 26.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -110.37 139.4 45.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 t -75.51 120.41 25.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.524 HG23 ' HA ' ' A' ' 105' ' ' PHE . 6.1 t -89.82 -45.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.282 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -166.4 159.31 14.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 110.329 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.72 147.35 33.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.245 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 102' ' ' ALA . 0.0 OUTLIER -142.65 149.35 38.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.541 ' HG3' HD12 ' A' ' 101' ' ' LEU . 17.6 tttm -136.47 144.79 44.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.534 ' CE1' ' OE1' ' A' ' 62' ' ' GLN . 5.0 m-85 -146.02 -171.34 3.69 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.442 1.089 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -106.67 -60.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.0 p -93.66 149.41 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 110.403 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -35.97 69.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' C ' ' CD ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -50.9 -41.0 58.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.29 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.534 ' OE1' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -65.27 -37.02 85.92 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.74 HG21 HG13 ' A' ' 100' ' ' VAL . 55.7 t -63.48 -28.85 45.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.31 -12.37 59.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -88.12 -45.86 9.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 110.252 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -55.46 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.322 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 41.2 mp0 -84.66 149.08 53.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.464 ' HD2' HD13 ' A' ' 23' ' ' ILE . 18.3 Cg_endo -75.02 174.12 13.35 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.486 1.782 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.455 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 46.3 mt -111.88 -34.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -59.6 -36.76 76.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -73.03 -54.82 7.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 59.7 mt -47.29 -51.45 6.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.277 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 17.2 m-85 -135.52 136.43 23.99 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 73' ' ' PHE . 18.3 Cg_endo -74.99 -23.44 13.8 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.56 -19.1 35.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt 50.65 66.76 5.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.455 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.485 1.782 . . . . 0.0 110.969 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.0 m -104.9 155.49 18.89 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.03 -39.94 13.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.977 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.1 -48.71 22.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.309 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.59 -46.63 83.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.24 -33.97 63.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.105 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.65 -52.31 22.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -60.98 -53.67 54.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -41.98 -48.79 4.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -78.95 54.34 1.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.987 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.6 t-80 -176.5 -61.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 109.61 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -43.68 -66.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.45 157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 111.04 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 38.88 88.23 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 137.04 21.23 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.413 1.744 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.86 69.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.244 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 64.19 152.56 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 107.989 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.03 72.93 1.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -178.17 111.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -122.28 -41.77 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.972 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.34 -64.12 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 59.61 175.74 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 111.005 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -102.34 -179.42 27.25 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.451 1.094 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.74 HG13 HG21 ' A' ' 63' ' ' VAL . 3.1 t -149.04 79.61 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.758 HD13 ' CB ' ' A' ' 28' ' ' ALA . 5.0 tp -126.91 121.49 31.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.237 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 55' ' ' LYS . . . -99.61 104.63 16.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 28.3 mt -102.77 126.86 56.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 5.5 ttmt -107.7 128.97 55.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.524 ' HA ' HG23 ' A' ' 52' ' ' VAL . 5.9 p90 -149.65 156.94 42.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.991 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.433 ' HG2' HG22 ' A' ' 52' ' ' VAL . 4.0 ptm180 -135.3 123.56 23.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.33 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 11.3 p -57.07 135.33 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.253 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 3.1 mt -85.8 95.73 9.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 1.101 . . . . 0.0 109.33 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 146.28 -145.01 13.52 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 61.28 156.11 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 0.781 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.3 140.33 37.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -145.53 176.99 9.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.296 179.97 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.513 0.197 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -85.24 158.11 20.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.477 HG13 ' CG1' ' A' ' 42' ' ' ILE . 55.4 t -117.13 131.92 68.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.47 ' CE2' HD12 ' A' ' 35' ' ' ILE . 13.8 m-85 -117.52 126.56 52.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 111.001 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.6 mtm-85 -97.12 78.95 2.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 15.8 mt -75.21 123.02 24.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.739 ' C ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -82.69 116.72 22.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.739 HD12 ' C ' ' A' ' 7' ' ' TYR . 6.7 mp -123.58 159.83 28.36 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.56 ' HB2' ' CD2' ' A' ' 12' ' ' TYR . 6.0 mttp -87.8 160.15 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.45 -34.86 69.42 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.98 -57.93 6.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 110.28 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.56 ' CD2' ' HB2' ' A' ' 9' ' ' LYS . 1.7 m-30 -64.64 -41.13 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.415 HD11 HD12 ' A' ' 47' ' ' ILE . 8.3 tp -58.33 -44.19 88.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.16 -49.09 12.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.317 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 mtt -56.61 -43.6 80.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.158 . . . . 0.0 111.021 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.75 HG11 ' CD2' ' A' ' 43' ' ' PHE . 80.4 t -62.49 -35.73 71.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.43 -29.81 64.04 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.1 p -70.19 -27.52 64.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.002 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.7 -17.48 49.64 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.446 1.091 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.3 -45.88 87.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.473 0.749 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.671 ' HB3' HG22 ' A' ' 16' ' ' VAL . 3.0 tptm -65.99 108.64 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.11 -44.72 1.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.289 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.1 mt -108.24 123.87 64.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.444 ' CG ' ' O ' ' A' ' 24' ' ' GLU . 14.5 pt-20 -112.75 110.95 21.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.734 HG23 ' O ' ' A' ' 101' ' ' LEU . 7.3 p -106.19 113.61 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.318 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.471 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -150.48 82.25 1.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 110.257 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 26' ' ' ARG . 34.6 m 45.13 -168.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -136.01 33.01 2.89 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -56.73 166.26 1.39 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 83.28 1.84 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.53 1.805 . . . . 0.0 110.973 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.749 ' HG3' HD23 ' A' ' 32' ' ' LEU . 13.3 tp60 -153.49 -64.48 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.749 HD23 ' HG3' ' A' ' 31' ' ' GLN . 0.9 OUTLIER -133.53 17.37 3.97 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.414 ' CD ' ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -76.93 -23.47 52.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.558 1.161 . . . . 0.0 109.279 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.82 -25.62 35.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.644 HG23 HG21 ' A' ' 54' ' ' VAL . 2.1 tt -41.95 161.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.34 177.23 7.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 6.7 ttt180 -58.95 140.55 55.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.421 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.43 -27.57 15.05 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.535 1.147 . . . . 0.0 111.028 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.72 -177.7 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.582 ' HG2' HD11 ' A' ' 42' ' ' ILE . 22.7 ttpt -134.31 142.34 47.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 49' ' ' ALA . 41.7 mt -127.09 128.2 70.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.32 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.582 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.3 mm -113.38 116.92 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.75 ' CD2' HG11 ' A' ' 16' ' ' VAL . 31.6 m-85 -84.48 122.54 29.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.083 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 63.39 13.68 7.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.331 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 50.8 t0 55.24 50.2 15.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 7.6 tp -149.31 -49.2 0.14 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.415 HD12 HD11 ' A' ' 13' ' ' LEU . 4.7 mt -101.53 110.9 63.0 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 152.04 40.3 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.445 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.02 149.13 29.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.264 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -107.05 149.21 27.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.31 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.81 115.73 24.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.471 HG22 ' HB2' ' A' ' 106' ' ' ARG . 7.4 t -76.58 -48.64 26.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -174.77 142.21 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 110.313 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.644 HG21 HG23 ' A' ' 35' ' ' ILE . 87.5 t -121.83 134.32 65.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.252 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.516 ' HB3' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -142.49 155.28 45.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' CD ' HD23 ' A' ' 101' ' ' LEU . 6.3 ttpt -124.93 143.08 51.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 55' ' ' LYS . 69.2 m-85 -139.34 -171.85 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.07 149.65 43.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.409 HG22 ' HB3' ' A' ' 61' ' ' ARG . 99.6 m 61.49 108.78 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.381 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -46.69 -27.25 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HB3' HG22 ' A' ' 59' ' ' THR . 0.0 OUTLIER -65.94 -43.31 88.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.426 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -59.43 -48.22 82.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.29 -179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.564 ' CG2' HG23 ' A' ' 100' ' ' VAL . 13.3 t -54.46 -30.28 21.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 mp -73.25 -29.9 63.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.107 . . . . 0.0 109.309 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.7 mmm180 -83.45 -41.21 18.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.2 -55.37 8.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -95.78 158.95 33.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.428 1.08 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 173.38 14.61 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.494 1.786 . . . . 0.0 111.006 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.5 HG22 ' HD2' ' A' ' 77' ' ' PRO . 71.0 mt -115.72 -40.16 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -55.17 -28.68 54.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -80.01 -55.74 4.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.421 HG22 ' CE2' ' A' ' 73' ' ' PHE . 39.2 mt -44.26 -46.41 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.11 . . . . 0.0 109.303 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.421 ' CE2' HG22 ' A' ' 72' ' ' ILE . 58.6 m-85 -134.42 146.83 61.0 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -22.84 14.38 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.559 1.821 . . . . 0.0 111.049 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER -68.02 -13.98 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' ASP . 8.3 pttt 38.27 64.54 3.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.341 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.5 ' HD2' HG22 ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.95 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 110.99 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.1 m -89.42 159.48 17.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.98 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -47.05 -38.32 10.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.02 -43.81 51.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.487 1.117 . . . . 0.0 110.306 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.91 -45.77 90.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.505 ' O ' ' CD1' ' A' ' 86' ' ' PHE . . . -67.45 -31.67 71.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.694 ' C ' HD13 ' A' ' 83' ' ' LEU . 0.5 OUTLIER -65.3 -50.9 63.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.578 ' N ' HD13 ' A' ' 83' ' ' LEU . 5.7 ttpt -71.61 -36.83 70.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 109.256 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.5 tpp180 -57.0 -42.59 80.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.505 ' CD1' ' O ' ' A' ' 82' ' ' ALA . 3.3 m-85 -67.0 -39.61 87.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -94.71 34.95 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.6 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -118.56 -66.76 1.04 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -43.19 136.29 2.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.962 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.608 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 37.7 p90 -40.41 100.4 0.22 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 111.053 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -73.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.034 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.3 tttm -160.3 -76.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 109.335 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -172.49 91.26 0.11 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 108.013 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 43.27 42.49 3.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -157.96 103.8 1.88 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 110.285 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -166.84 146.93 5.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 176.7 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.283 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -57.21 -177.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.07 116.93 3.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.517 1.135 . . . . 0.0 111.0 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.564 HG23 ' CG2' ' A' ' 63' ' ' VAL . 7.8 p -172.64 97.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.734 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -159.05 129.39 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.345 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -116.48 112.87 22.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.599 ' CD1' HD12 ' A' ' 32' ' ' LEU . 24.4 mt -109.05 132.05 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -114.31 119.07 35.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.506 ' CE1' ' CE2' ' A' ' 43' ' ' PHE . 11.0 p90 -133.63 148.48 51.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.471 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -118.37 114.73 23.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.1 p -58.43 127.3 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.3 mt -89.97 120.06 30.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.45 -96.55 0.28 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.46 1.1 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -42.23 155.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 0.763 . . . . 0.0 110.269 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.47 143.74 31.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 pttm -52.78 175.84 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.932 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.443 ' CB ' ' O ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.506 0.194 . . . . 0.0 110.989 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 40' ' ' LYS . 6.2 tppt? -73.48 158.27 35.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.585 HG13 HD11 ' A' ' 42' ' ' ILE . 78.7 t -127.48 125.99 66.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.625 ' CD2' ' CD1' ' A' ' 35' ' ' ILE . 4.0 m-85 -111.9 102.63 10.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.46 ' C ' HD23 ' A' ' 6' ' ' LEU . 6.0 mtm180 -81.15 104.57 11.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.279 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 5' ' ' ARG . 8.4 mt -104.76 121.53 43.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.655 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -82.66 117.89 22.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.97 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.655 HD12 ' O ' ' A' ' 7' ' ' TYR . 4.2 mp -123.81 178.91 5.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.563 ' HB2' ' CE2' ' A' ' 12' ' ' TYR . 0.1 OUTLIER -97.6 164.36 12.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -64.35 -37.57 87.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.35 -47.88 80.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 110.297 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -74.92 -43.62 53.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.536 HD11 HD12 ' A' ' 47' ' ' ILE . 14.6 tp -59.03 -47.43 85.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -44.56 -47.56 10.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.34 -42.76 96.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 21' ' ' LYS . 22.9 t -58.37 -45.96 89.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HG3' HD13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -58.06 -41.6 83.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 p -59.08 -31.16 68.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 108.15 -20.72 30.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -47.22 -47.89 24.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 0.765 . . . . 0.0 109.31 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.648 ' HB3' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -65.98 118.48 9.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.314 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 mmm-85 -135.56 -45.68 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.6 mp -117.92 112.77 39.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.493 ' OE2' ' CE1' ' A' ' 105' ' ' PHE . 1.5 pm0 -108.44 113.86 27.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 110.327 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.429 HG11 HG11 ' A' ' 63' ' ' VAL . 14.7 m -102.43 141.65 18.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -165.42 -60.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.279 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.5 p -174.75 150.18 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.93 ' HB2' HD13 ' A' ' 101' ' ' LEU . . . -89.18 53.98 2.83 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.476 ' HB2' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -45.27 158.13 0.32 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 110.959 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -13.85 21.32 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -105.08 -1.63 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.285 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 29' ' ' TYR . 23.1 mt -118.27 -54.24 2.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.83 -36.03 4.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.105 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -51.63 -36.58 46.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.625 ' CD1' ' CD2' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -41.22 156.0 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.488 ' C ' HG11 ' A' ' 51' ' ' VAL . 2.2 ptmt -167.16 172.14 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.8 ttt180 -58.85 132.48 54.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' O ' ' CB ' ' A' ' 1' ' ' MET . . . 109.82 -37.31 3.83 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.496 1.122 . . . . 0.0 111.006 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -59.46 -175.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.692 ' CD ' HD11 ' A' ' 42' ' ' ILE . 5.8 ttmt -138.57 145.92 41.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.7 HG22 ' CE1' ' A' ' 43' ' ' PHE . 91.8 mt -124.28 126.22 71.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.692 HD11 ' CD ' ' A' ' 40' ' ' LYS . 1.6 mm -108.82 118.35 56.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.7 ' CE1' HG22 ' A' ' 41' ' ' ILE . 7.9 m-85 -94.62 122.2 36.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.3 m120 60.35 19.14 8.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.6 t0 49.04 67.33 0.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 3.1 tp -169.06 -49.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.536 HD12 HD11 ' A' ' 13' ' ' LEU . 6.5 mt -102.35 110.89 63.81 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 159.53 41.22 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.547 1.814 . . . . 0.0 111.014 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.654 ' HB1' ' HD2' ' A' ' 105' ' ' PHE . . . -151.16 155.24 38.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -115.17 145.04 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.488 HG11 ' C ' ' A' ' 36' ' ' LYS . 98.4 t -81.37 115.18 23.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.269 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.5 t -82.57 -49.49 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.44 149.81 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.0 137.85 55.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.93 167.09 22.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HG3' HD12 ' A' ' 101' ' ' LEU . 16.0 tttt -129.97 155.24 46.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.452 ' CD1' ' O ' ' A' ' 56' ' ' LYS . 56.8 m-85 -158.58 -175.15 5.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -124.53 166.7 15.6 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.512 1.133 . . . . 0.0 110.259 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 62.2 p 46.05 -164.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -108.51 -44.35 4.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.489 ' O ' ' CG ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -51.77 -39.88 59.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -57.93 -53.11 61.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.474 ' CG2' ' CG1' ' A' ' 100' ' ' VAL . 42.0 t -67.04 -32.79 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.584 HD23 HD11 ' A' ' 69' ' ' ILE . 6.7 mp -74.62 -17.85 60.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.489 ' CG ' ' O ' ' A' ' 61' ' ' ARG . 0.6 OUTLIER -91.35 -41.59 10.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 110.292 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -72.2 -53.56 12.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -105.11 157.78 33.54 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.294 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.54 14.32 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.506 1.792 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.584 HD11 HD23 ' A' ' 64' ' ' LEU . 61.7 mt -105.78 -34.32 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -60.16 -31.11 69.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 109.34 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 58.6 mttt -79.29 -45.62 19.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.554 HG22 ' HD1' ' A' ' 73' ' ' PHE . 63.7 mt -64.62 -56.17 17.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.554 ' HD1' HG22 ' A' ' 72' ' ' ILE . 2.1 m-85 -120.01 126.07 27.04 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 111.023 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -22.79 14.44 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -63.13 -13.8 41.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.342 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 3.4 mtmt 51.95 63.89 8.51 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.457 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -177.78 3.71 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.493 1.786 . . . . 0.0 110.967 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 54.6 m -105.97 155.18 19.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.455 1.097 . . . . 0.0 110.01 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -46.9 -40.15 13.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 111.016 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -74.93 -48.82 22.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.28 -43.91 83.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.472 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -55.23 -38.23 68.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -43.86 86.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 87' ' ' HIS . 0.3 OUTLIER -67.94 -58.97 3.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.77 -48.47 4.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.472 ' CD2' ' O ' ' A' ' 82' ' ' ALA . 3.3 m-85 -60.27 -38.84 84.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -73.06 -49.63 27.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.43 -21.53 25.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.145 . . . . 0.0 109.332 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -26.03 61.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.998 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -137.22 93.81 12.81 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.564 1.165 . . . . 0.0 110.963 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -53.43 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.47 1.773 . . . . 0.0 111.025 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' HB3' ' CE3' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -55.67 176.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.454 ' HB3' ' CD1' ' A' ' 96' ' ' TYR . 18.8 m-90 61.06 80.61 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 108.034 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.3 tttt -68.15 128.56 36.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 46.15 71.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.519 ' CD1' ' C ' ' A' ' 96' ' ' TYR . 0.6 OUTLIER -171.81 144.7 1.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.97 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -171.89 164.75 6.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.297 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.44 ' O ' ' CG ' ' A' ' 98' ' ' TYR . 9.1 p90 -172.16 132.37 0.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 145.49 -111.38 0.59 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.474 ' CG1' ' CG2' ' A' ' 63' ' ' VAL . 21.7 t 66.26 55.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.764 . . . . 0.0 109.36 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.93 HD13 ' HB2' ' A' ' 28' ' ' ALA . 2.8 tp -110.18 122.37 47.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.288 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -101.64 105.22 16.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 20.1 mt -94.56 123.7 46.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -103.13 113.59 27.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.654 ' HD2' ' HB1' ' A' ' 49' ' ' ALA . 7.6 p90 -127.6 156.76 41.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 110.984 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -126.46 113.85 17.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.252 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.1 p -55.55 135.54 18.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.6 mt -97.67 98.08 9.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 164.18 -78.12 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -65.16 163.81 14.35 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 0.768 . . . . 0.0 110.269 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.46 153.97 20.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.1 177.75 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.287 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.105 . . . . 0.0 110.285 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ttt . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.54 0.209 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.7 tttt -92.73 165.21 13.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.413 HG13 ' CG1' ' A' ' 42' ' ' ILE . 64.5 t -122.61 130.2 74.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -119.38 111.99 18.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.3 mtm180 -88.97 102.41 15.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.12 . . . . 0.0 110.35 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.3 mt -102.14 119.51 38.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.574 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.2 OUTLIER -82.39 117.59 22.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.2 mp -122.02 178.09 5.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.356 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.84 164.31 12.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.31 -35.16 79.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -60.8 -49.9 75.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.523 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.0 OUTLIER -77.04 -46.92 22.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.553 HD11 ' CD1' ' A' ' 47' ' ' ILE . 18.1 tp -53.73 -44.19 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.251 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -47.05 -33.26 4.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.343 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.479 ' CE ' ' CG ' ' A' ' 74' ' ' PRO . 8.0 mtt -70.65 -47.19 61.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.599 HG11 ' CD2' ' A' ' 43' ' ' PHE . 46.1 t -60.28 -47.4 92.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -45.4 71.85 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 p -59.9 -34.78 73.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.001 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.59 -19.39 33.77 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.457 1.098 . . . . 0.0 110.998 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.6 mttt -49.53 -34.91 18.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 0.743 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.2 tmtm? -78.95 116.78 19.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.309 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -45.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.282 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.422 HD12 ' HB3' ' A' ' 71' ' ' LYS . 3.2 mp -98.21 121.09 48.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -102.07 110.78 22.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.276 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.9 t -109.8 104.69 17.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.499 ' C ' HG22 ' A' ' 27' ' ' VAL . 8.6 ttt180 -142.05 69.14 1.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.499 HG22 ' C ' ' A' ' 26' ' ' ARG . 30.9 m 46.16 -170.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -123.02 24.98 8.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.571 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -41.64 155.26 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.571 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.2 Cg_endo -74.99 82.78 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.463 1.77 . . . . 0.0 110.988 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -172.8 -55.09 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 110.268 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.685 ' O ' HG22 ' A' ' 35' ' ' ILE . 7.6 mt -98.39 -28.01 13.84 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.47 -32.38 17.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -66.48 -31.78 72.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.685 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -40.16 154.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.426 ' HA ' HG11 ' A' ' 54' ' ' VAL . 0.9 OUTLIER -155.88 172.39 18.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.72 138.15 56.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.16 -21.82 32.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.453 1.095 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.531 ' HB2' HG21 ' A' ' 51' ' ' VAL . 15.8 m-20 -73.48 -179.58 3.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 0.735 . . . . 0.0 109.283 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.548 ' HD3' HD11 ' A' ' 42' ' ' ILE . 6.6 tttp -135.01 148.21 49.89 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' ALA . 15.7 mt -129.21 142.45 43.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.548 HD11 ' HD3' ' A' ' 40' ' ' LYS . 1.8 mm -120.62 106.72 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.599 ' CD2' HG11 ' A' ' 16' ' ' VAL . 31.7 m-85 -81.15 123.98 28.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 8' ' ' LEU . 6.2 m120 60.25 15.98 5.77 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.6 t0 50.65 62.44 2.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 26.8 tp -165.1 -43.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.553 ' CD1' HD11 ' A' ' 13' ' ' LEU . 4.0 mt -106.95 110.87 63.82 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 156.36 42.83 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.443 1.759 . . . . 0.0 110.967 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.19 150.78 31.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -116.83 143.8 45.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.531 HG21 ' HB2' ' A' ' 39' ' ' ASP . 12.6 t -77.01 118.09 23.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 15.5 t -84.99 -47.28 17.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -170.17 146.78 3.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.426 HG11 ' HA ' ' A' ' 36' ' ' LYS . 4.3 p -124.14 137.11 58.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.446 ' O ' HD23 ' A' ' 101' ' ' LEU . 0.1 OUTLIER -140.1 142.42 36.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.318 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -114.27 152.69 30.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.486 ' CZ ' ' HG3' ' A' ' 66' ' ' GLU . 45.2 m-85 -158.62 -170.92 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 111.039 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' O ' ' CB ' ' A' ' 59' ' ' THR . 7.5 pt-20 -131.85 138.88 48.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.764 ' N ' HG21 ' A' ' 100' ' ' VAL . 2.1 m 78.64 145.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.407 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.501 ' O ' HD23 ' A' ' 64' ' ' LEU . 51.8 p90 -67.22 -39.27 86.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.0 OUTLIER -55.46 -40.71 71.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 25.5 tp60 -57.74 -55.18 38.25 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.354 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.517 HG23 ' CG1' ' A' ' 100' ' ' VAL . 39.6 t -66.64 -32.51 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.327 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.941 HD12 HD11 ' A' ' 69' ' ' ILE . 2.3 mm? -67.26 -29.2 68.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -87.85 -39.16 15.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.341 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.486 ' HG3' ' CZ ' ' A' ' 57' ' ' TYR . 1.1 tm-20 -63.54 -54.13 40.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.319 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -107.04 157.45 35.33 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.08 . . . . 0.0 110.283 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 172.97 15.32 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.542 1.811 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.941 HD11 HD12 ' A' ' 64' ' ' LEU . 5.2 mt -104.8 -26.15 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.58 -30.7 71.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.422 ' HB3' HD12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -81.95 -59.75 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.522 HG22 ' CD2' ' A' ' 73' ' ' PHE . 82.3 mt -40.9 -47.02 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.522 ' CD2' HG22 ' A' ' 72' ' ' ILE . 57.9 m-85 -135.23 147.62 63.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.479 ' CG ' ' CE ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.97 -30.44 7.22 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.538 1.809 . . . . 0.0 110.97 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.495 ' O ' ' C ' ' A' ' 76' ' ' LYS . 2.2 m-20 -61.17 -14.98 28.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.503 ' O ' ' CG ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 32.85 63.45 1.38 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 -170.56 0.8 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.508 1.794 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 41.8 m -99.58 156.94 16.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 110.006 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.13 -38.45 39.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -74.48 -38.35 62.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.12 -46.7 67.0 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 1.123 . . . . 0.0 109.336 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.83 -35.59 73.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.8 -34.58 78.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -72.54 -45.62 58.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.1 -40.79 67.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -84.81 53.15 2.61 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.115 . . . . 0.0 110.967 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.49 -49.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.59 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -53.06 -50.18 64.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' TYR . 0.2 OUTLIER -52.6 167.32 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.599 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 34.4 p90 -37.07 97.9 0.14 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 89' ' ' MET . 18.3 Cg_endo -74.97 -58.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.524 1.802 . . . . 0.0 110.976 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.88 166.04 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.127 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 3.5 m95 -47.58 131.96 14.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 108.019 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -166.96 -173.04 2.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -171.59 118.07 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 56.02 178.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 160.03 7.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.253 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -167.1 128.23 1.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.56 92.69 0.38 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.764 HG21 ' N ' ' A' ' 59' ' ' THR . 92.1 t -127.42 86.82 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 0.787 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 55' ' ' LYS . 0.8 OUTLIER -134.51 134.0 40.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.246 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -114.49 105.9 13.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.4 mt -95.66 131.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -117.81 114.64 23.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.54 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 2.7 p90 -129.76 157.48 42.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 111.048 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -121.43 113.3 19.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.42 HG13 ' O ' ' A' ' 107' ' ' VAL . 10.0 p -59.89 114.39 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.1 mt -70.38 112.11 6.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 157.07 -80.91 0.17 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.499 1.125 . . . . 0.0 111.032 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -56.06 162.77 1.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 0.78 . . . . 0.0 110.324 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -76.62 135.84 39.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.2 172.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.26 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.265 179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.3 ttt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.495 0.188 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 40' ' ' LYS . 0.8 OUTLIER -93.34 160.18 14.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.467 HG13 ' CG1' ' A' ' 42' ' ' ILE . 76.0 t -120.17 134.83 62.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.464 ' HB3' HD21 ' A' ' 6' ' ' LEU . 9.6 m-85 -123.32 109.7 14.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.576 ' C ' HD23 ' A' ' 6' ' ' LEU . 7.2 mtt180 -83.48 99.57 10.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 110.336 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.576 HD23 ' C ' ' A' ' 5' ' ' ARG . 4.2 mt -99.79 119.27 37.89 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.449 ' O ' HD12 ' A' ' 8' ' ' LEU . 2.7 m-85 -82.73 118.94 23.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.509 HD22 ' CD1' ' A' ' 43' ' ' PHE . 1.2 mp -121.6 166.53 14.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -82.96 156.28 23.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -27.5 68.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.118 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.94 -50.81 53.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.312 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.498 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -77.61 -43.58 31.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.019 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.802 HD22 ' ND2' ' A' ' 44' ' ' ASN . 12.5 tp -53.23 -45.54 68.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -45.7 59.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.505 1.128 . . . . 0.0 110.328 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -35.61 72.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.444 HG11 ' CD2' ' A' ' 43' ' ' PHE . 61.9 t -73.29 -45.99 51.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -33.96 60.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 p -75.28 -32.8 61.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 110.042 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.9 19.74 12.54 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -76.34 -34.56 58.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.05 148.41 34.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.55 -44.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CD1' ' HD2' ' A' ' 68' ' ' PRO . 36.5 mt -111.62 123.04 67.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -105.39 124.87 50.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 101' ' ' LEU . 1.5 p -132.52 118.89 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.48 57.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 110.303 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.885 HG11 ' CE1' ' A' ' 29' ' ' TYR . 8.4 t 67.05 160.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.595 ' HB2' HD23 ' A' ' 101' ' ' LEU . . . -104.28 32.97 3.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.885 ' CE1' HG11 ' A' ' 27' ' ' VAL . 22.4 m-85 -48.26 154.57 1.06 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 81.01 2.3 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -168.92 -46.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.518 1.136 . . . . 0.0 110.341 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.594 ' O ' HG22 ' A' ' 35' ' ' ILE . 7.2 mt -110.97 -29.08 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.433 ' HE3' ' CA ' ' A' ' 34' ' ' ASP . 0.5 OUTLIER -48.63 -35.74 14.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' CA ' ' HE3' ' A' ' 33' ' ' LYS . 6.7 t0 -57.17 -35.55 69.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.594 HG22 ' O ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -40.79 155.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -162.82 169.25 20.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -59.34 135.12 57.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 107.71 -18.47 34.73 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.42 -176.09 5.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 0.771 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.478 ' CD ' HD11 ' A' ' 42' ' ' ILE . 4.2 tttt -137.18 141.74 42.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.456 1.098 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.561 HG23 ' HG ' ' A' ' 6' ' ' LEU . 9.7 mt -126.99 131.58 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.14 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.478 HD11 ' CD ' ' A' ' 40' ' ' LYS . 2.8 mm -112.41 122.77 67.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' CD1' HD22 ' A' ' 8' ' ' LEU . 28.8 m-85 -93.73 129.09 40.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.802 ' ND2' HD22 ' A' ' 13' ' ' LEU . 3.9 m120 57.45 18.34 4.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.3 t0 48.26 64.34 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 47' ' ' ILE . 0.7 OUTLIER -167.66 -43.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.46 ' CD1' HD11 ' A' ' 13' ' ' LEU . 2.6 mp -104.92 110.74 64.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 154.29 42.22 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.13 146.5 26.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.313 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -109.73 144.48 38.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.503 HG22 ' CD1' ' A' ' 41' ' ' ILE . 46.3 t -77.56 120.47 28.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.475 HG22 ' HB2' ' A' ' 106' ' ' ARG . 16.0 t -86.94 -50.45 13.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -172.46 143.56 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.724 HG22 HG12 ' A' ' 103' ' ' ILE . 15.8 t -108.73 142.93 20.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.96 134.18 36.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HE3' ' CB ' ' A' ' 28' ' ' ALA . 22.2 tttt -129.0 141.9 51.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.577 1.173 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.489 ' CE1' ' NE2' ' A' ' 62' ' ' GLN . 47.9 m-85 -133.4 175.59 9.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' CG ' ' N ' ' A' ' 59' ' ' THR . 8.8 pt-20 -84.47 -46.12 11.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.615 HG23 ' HG3' ' A' ' 61' ' ' ARG . 0.9 OUTLIER -122.89 147.78 46.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.415 1.072 . . . . 0.0 110.386 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.487 ' N ' HG21 ' A' ' 100' ' ' VAL . 6.9 p90 -65.02 -32.88 74.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.615 ' HG3' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -50.9 -36.86 40.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.271 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' NE2' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -75.07 -39.87 60.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.295 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.831 HG21 HG13 ' A' ' 100' ' ' VAL . 74.1 t -51.66 -32.21 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.4 mp -81.89 -25.51 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 62' ' ' GLN . 3.6 mmt85 -71.92 -47.67 50.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' CG ' ' OH ' ' A' ' 57' ' ' TYR . 0.7 OUTLIER -82.2 -57.62 3.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.322 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -84.08 146.94 49.66 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.299 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.466 ' HD2' ' CD1' ' A' ' 23' ' ' ILE . 18.4 Cg_endo -74.99 173.64 14.16 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.556 1.819 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 33.2 mt -105.43 -36.07 3.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -56.41 -43.2 79.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -65.8 -49.8 66.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.3 mt -57.48 -52.38 57.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -129.74 131.06 23.3 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -23.71 13.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.74 -18.07 19.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 55.6 mttt 50.92 64.36 8.32 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.426 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.99 -172.79 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.537 1.809 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.2 m -106.26 152.01 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.961 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -46.76 -40.19 13.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 111.019 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.94 -38.98 61.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.302 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -66.67 -52.22 47.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -49.84 -36.03 25.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.572 HD23 ' N ' ' A' ' 84' ' ' LYS . 0.4 OUTLIER -61.17 -45.52 94.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.309 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.572 ' N ' HD23 ' A' ' 83' ' ' LEU . 0.1 OUTLIER -72.49 -48.28 41.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -48.78 -49.07 40.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -77.85 61.61 2.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 111.017 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.5 t60 170.87 -49.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.592 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -72.73 85.3 1.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 3.7 ptm 179.77 158.08 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 50.55 99.21 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -32.57 5.34 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.483 1.781 . . . . 0.0 110.997 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.57 69.4 1.24 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -179.1 -67.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 108.003 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 60.88 105.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -179.64 150.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.109 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -105.49 59.72 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER 167.76 114.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 0.0 110.344 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 -50.34 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.973 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.554 ' HA3' HG13 ' A' ' 27' ' ' VAL . . . 154.29 163.78 12.24 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.831 HG13 HG21 ' A' ' 63' ' ' VAL . 46.9 t -124.62 112.85 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.595 HD23 ' HB2' ' A' ' 28' ' ' ALA . 0.4 OUTLIER -159.44 143.58 15.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.462 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -138.17 111.01 7.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.724 HG12 HG22 ' A' ' 54' ' ' VAL . 54.0 mt -109.37 133.2 55.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -110.32 114.69 28.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.331 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.442 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 9.8 p90 -124.24 154.64 39.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.475 ' HB2' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -122.65 111.42 16.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.248 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.7 p -55.78 125.53 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 2.8 mt -82.99 117.53 22.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.132 . . . . 0.0 109.336 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 138.56 -90.86 0.2 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.523 1.139 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -50.43 155.43 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 0.769 . . . . 0.0 110.289 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -80.35 148.97 30.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.091 . . . . 0.0 109.298 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -54.25 178.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.971 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.509 0.195 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -92.5 155.82 17.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.69 HG13 HG12 ' A' ' 42' ' ' ILE . 74.0 t -120.19 124.25 72.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.297 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.585 ' CE2' HD12 ' A' ' 35' ' ' ILE . 4.3 m-85 -110.98 108.9 18.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 mtt180 -83.24 99.16 9.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.6 mt -103.5 121.73 43.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.634 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -83.49 118.72 23.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 0.0 111.021 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.634 HD12 ' O ' ' A' ' 7' ' ' TYR . 3.1 mp -123.28 171.47 9.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.94 156.99 16.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -59.81 -32.32 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 109.348 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.69 -53.07 60.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.543 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.1 m-30 -75.03 -44.82 45.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.412 1.07 . . . . 0.0 110.995 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.624 HD11 HD12 ' A' ' 47' ' ' ILE . 11.5 tp -54.67 -42.16 71.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -45.17 -41.46 8.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . 0.402 ' SD ' ' CG ' ' A' ' 74' ' ' PRO . 4.0 mtt -60.68 -49.34 77.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 111.03 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 ' HB3' ' A' ' 21' ' ' LYS . 58.0 t -57.48 -51.39 70.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' HG2' HD13 ' A' ' 47' ' ' ILE . 2.2 mmtt -51.43 -40.08 58.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.5 p -69.95 -28.15 65.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 103.21 -26.71 22.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -42.42 -36.19 1.24 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.255 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.457 ' HB3' HG22 ' A' ' 16' ' ' VAL . 1.3 tptt -75.29 110.2 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.86 -45.67 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.1 mt -101.19 122.36 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -101.54 114.51 28.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -104.87 125.24 59.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.329 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -167.57 75.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.806 HG23 ' N ' ' A' ' 28' ' ' ALA . 1.4 m 36.96 -153.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.806 ' N ' HG23 ' A' ' 27' ' ' VAL . . . -143.2 53.02 1.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.494 ' CD2' ' HD2' ' A' ' 30' ' ' PRO . 0.2 OUTLIER -80.41 173.83 7.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.983 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.494 ' HD2' ' CD2' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -75.03 164.04 34.09 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.48 1.779 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.11 -0.97 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.085 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' O ' HG22 ' A' ' 35' ' ' ILE . 1.0 OUTLIER -140.88 -56.52 0.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.297 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.24 -29.62 9.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.27 -32.13 73.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.585 HD12 ' CE2' ' A' ' 4' ' ' TYR . 0.4 OUTLIER -40.25 153.26 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.265 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.481 ' O ' HG11 ' A' ' 51' ' ' VAL . 3.5 ptmt -161.37 -179.19 7.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -73.18 141.73 47.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.78 -11.89 56.27 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.55 1.156 . . . . 0.0 111.004 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -95.53 174.56 6.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 0.757 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.423 ' HG2' HD11 ' A' ' 42' ' ' ILE . 4.5 ttpt -125.0 140.89 52.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.673 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.0 mt -118.88 124.82 73.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.69 HG12 HG13 ' A' ' 3' ' ' VAL . 12.4 mm -104.13 126.82 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -105.9 124.91 50.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 m120 59.77 19.66 8.46 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.522 ' HA ' HG22 ' A' ' 42' ' ' ILE . 61.5 t0 44.82 67.86 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 5.9 tp -167.41 -51.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.624 HD12 HD11 ' A' ' 13' ' ' LEU . 5.6 mt -103.78 110.52 64.08 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 158.83 41.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -151.16 150.16 30.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.127 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -112.95 139.94 48.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.673 HG22 ' CD1' ' A' ' 41' ' ' ILE . 13.9 t -73.86 121.11 24.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.472 ' CG2' ' HB2' ' A' ' 106' ' ' ARG . 14.5 t -86.93 -47.8 15.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.259 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -174.47 147.37 1.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.278 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.9 t -125.92 132.54 70.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.38 140.32 41.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -109.24 149.31 29.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.467 ' O ' HG13 ' A' ' 100' ' ' VAL . 87.8 m-85 -143.84 176.45 9.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 111.017 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -104.92 136.08 45.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 17.6 m 63.5 130.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.436 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.644 ' CD1' ' N ' ' A' ' 61' ' ' ARG . 35.3 p90 -60.56 -42.1 95.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.644 ' N ' ' CD1' ' A' ' 60' ' ' PHE . 0.9 OUTLIER -53.39 -46.73 69.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.448 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -55.95 -43.78 77.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 110.336 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.455 ' CG2' ' HB2' ' A' ' 57' ' ' TYR . 4.3 t -56.81 -29.11 29.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.085 . . . . 0.0 109.359 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 mp -77.74 -24.44 49.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -80.68 -42.73 21.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.31 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.49 -58.38 3.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.123 . . . . 0.0 110.323 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -84.65 153.84 61.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.135 . . . . 0.0 110.292 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 173.44 14.5 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.498 1.788 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.433 ' CG2' ' HD2' ' A' ' 77' ' ' PRO . 33.7 mt -110.1 -34.36 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -51.56 -48.59 63.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mttm -64.48 -56.56 13.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 0.0 109.289 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.5 mt -48.59 -52.63 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -132.3 125.08 19.64 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.402 ' CG ' ' SD ' ' A' ' 15' ' ' MET . 18.3 Cg_endo -74.96 -20.82 16.6 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -59.34 -23.5 62.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 6.1 mtmt 62.32 64.21 1.8 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.257 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.433 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -75.03 175.94 10.58 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.8 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 13.6 m -100.6 153.22 19.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.133 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -46.78 -41.44 15.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 111.003 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -75.04 -46.19 36.61 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.9 tmtm? -57.24 -50.67 72.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' O ' ' CD2' ' A' ' 86' ' ' PHE . . . -56.45 -37.16 69.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -41.19 95.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 5.9 mttp -71.52 -53.81 12.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.84 -47.65 21.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.562 ' HB3' ' CD2' ' A' ' 87' ' ' HIS . 4.1 m-85 -55.74 134.74 51.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 86' ' ' PHE . 1.9 m170 86.85 -46.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.507 1.129 . . . . 0.0 109.654 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.12 163.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.414 ' O ' ' O ' ' A' ' 90' ' ' TYR . 38.2 mtm 63.85 -178.17 0.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.103 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.414 ' O ' ' O ' ' A' ' 89' ' ' MET . 76.2 m-85 56.13 160.27 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 76.51 3.4 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.488 1.783 . . . . 0.0 110.984 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.17 119.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 24.2 p90 -154.73 149.01 26.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 108.045 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 77.82 130.31 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 0.0 109.316 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.21 146.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.9 p90 -91.71 156.81 17.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.98 -172.72 2.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -99.6 143.98 29.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.468 ' CA ' ' HA ' ' A' ' 27' ' ' VAL . . . 158.67 126.01 0.84 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.481 1.113 . . . . 0.0 110.991 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 57' ' ' TYR . 7.0 p -176.75 65.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.557 HD12 ' CB ' ' A' ' 28' ' ' ALA . 1.2 tt -125.2 133.37 52.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.45 ' N ' HD23 ' A' ' 101' ' ' LEU . . . -112.72 106.36 14.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.462 HG13 HD22 ' A' ' 101' ' ' LEU . 38.0 mt -97.7 132.73 41.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.71 114.09 25.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -126.62 153.25 45.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.472 ' HB2' ' CG2' ' A' ' 52' ' ' VAL . 1.1 ttt180 -123.61 111.69 16.53 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.9 p -56.92 126.85 15.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 1.5 mt -81.6 132.98 35.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.291 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 134.34 -84.27 0.28 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.2 165.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.313 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.67 138.38 41.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -63.71 175.25 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 110.264 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.528 0.204 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -77.16 157.48 30.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 39.4 t -113.66 141.79 28.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -133.7 119.61 19.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 53.1 mtm-85 -91.92 109.49 20.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 110.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 mt -106.76 121.57 44.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.836 ' C ' HD12 ' A' ' 8' ' ' LEU . 5.9 m-85 -81.87 117.49 22.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.836 HD12 ' C ' ' A' ' 7' ' ' TYR . 7.3 mp -126.97 162.45 25.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -93.02 151.47 19.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.45 -29.19 6.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -63.63 -53.14 56.12 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.456 ' CD1' ' N ' ' A' ' 12' ' ' TYR . 1.5 m-85 -77.92 -41.22 37.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.964 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.566 HD13 ' HB2' ' A' ' 44' ' ' ASN . 4.3 tp -57.13 -42.13 80.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -46.52 -49.17 18.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.86 -45.42 82.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 58.5 t -58.58 -40.93 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.41 -51.04 67.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.1 p -59.74 -21.57 60.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.162 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' C ' ' N ' ' A' ' 21' ' ' LYS . . . 96.77 -22.54 39.9 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.518 1.136 . . . . 0.0 110.962 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttt -42.79 -29.29 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.255 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' N ' ' C ' ' A' ' 19' ' ' GLY . 0.2 OUTLIER -86.54 117.17 25.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.366 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -133.29 -45.02 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.483 HD13 ' HB2' ' A' ' 67' ' ' GLU . 8.5 mt -103.84 121.81 55.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -101.05 111.1 23.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 72' ' ' ILE . 57.8 t -101.85 136.05 35.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.72 146.37 0.22 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.1 t -40.07 128.87 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.58 ' HB2' ' HB2' ' A' ' 101' ' ' LEU . . . -70.29 61.23 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.517 ' CG ' ' HD2' ' A' ' 30' ' ' PRO . 0.1 OUTLIER -77.82 159.56 76.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.517 ' HD2' ' CG ' ' A' ' 29' ' ' TYR . 18.3 Cg_endo -74.96 80.57 2.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -161.27 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD12 ' CD1' ' A' ' 103' ' ' ILE . 0.7 OUTLIER -137.72 13.29 2.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' CG ' ' O ' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -85.89 -24.27 26.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.32 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -79.16 -24.81 43.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.66 HD13 HD11 ' A' ' 41' ' ' ILE . 5.4 tt -43.03 159.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -158.68 173.94 15.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 38' ' ' GLY . 9.2 ttt180 -57.8 140.59 51.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.571 1.169 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' N ' ' HG2' ' A' ' 37' ' ' ARG . . . 107.02 -21.17 32.13 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.64 178.6 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.46 ' HG2' HD11 ' A' ' 42' ' ' ILE . 18.8 ttpt -134.17 148.97 51.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.66 HD11 HD13 ' A' ' 35' ' ' ILE . 52.5 mt -131.45 129.79 62.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.46 HD11 ' HG2' ' A' ' 40' ' ' LYS . 2.3 mm -106.76 113.68 43.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -88.44 125.22 34.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.566 ' HB2' HD13 ' A' ' 13' ' ' LEU . 2.2 m120 63.25 16.13 9.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.356 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.68 64.52 1.66 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -169.16 -42.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.524 HD12 HD11 ' A' ' 13' ' ' LEU . 10.2 mt -110.2 110.61 58.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.45 41.37 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 41' ' ' ILE . . . -151.13 145.33 25.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.147 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.447 ' HB2' HD21 ' A' ' 108' ' ' LEU . 9.4 tt0 -108.32 138.37 44.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.442 1.089 . . . . 0.0 110.29 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 80.7 t -75.79 121.98 28.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 7.8 t -86.21 -48.54 15.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.08 143.29 1.52 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 72.6 t -128.7 132.25 67.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.472 1.108 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -143.23 151.67 40.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.4 ttmt -107.11 151.22 25.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.675 ' CD2' HG22 ' A' ' 63' ' ' VAL . 53.8 m-85 -130.01 -170.66 2.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 110.991 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.731 ' O ' HG21 ' A' ' 100' ' ' VAL . 3.3 mm-40 -88.31 -109.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.7 p -85.09 150.0 25.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.425 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.512 ' CZ ' ' O ' ' A' ' 99' ' ' GLY . 94.6 m-85 -43.63 -41.21 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.54 -41.02 60.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -65.88 -42.8 89.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 110.311 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.675 HG22 ' CD2' ' A' ' 57' ' ' TYR . 40.9 t -60.98 -43.56 96.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.685 ' HG ' HD11 ' A' ' 69' ' ' ILE . 8.5 mp -64.1 -22.81 67.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.087 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 mmt180 -83.54 -44.29 14.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.298 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.477 ' HG3' ' CE1' ' A' ' 57' ' ' TYR . 0.0 OUTLIER -67.59 -57.17 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.155 . . . . 0.0 110.284 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.497 ' OE2' ' CG1' ' A' ' 63' ' ' VAL . 5.5 pt-20 -106.16 152.86 40.54 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.02 15.23 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.497 1.788 . . . . 0.0 111.008 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.685 HD11 ' HG ' ' A' ' 64' ' ' LEU . 9.1 mt -106.25 -32.53 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.335 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.502 ' OD2' ' CE ' ' A' ' 76' ' ' LYS . 0.5 OUTLIER -49.78 -32.85 14.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -77.32 -50.82 12.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.467 HD13 HG21 ' A' ' 25' ' ' VAL . 62.5 mt -57.51 -40.14 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.458 ' CD1' ' O ' ' A' ' 72' ' ' ILE . 29.6 m-85 -145.94 127.9 7.74 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.994 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.82 17.41 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -23.9 57.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.502 ' CE ' ' OD2' ' A' ' 70' ' ' ASP . 6.6 mttp 56.51 69.38 1.8 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.229 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.03 -169.85 0.69 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.499 1.789 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.5 m -110.7 150.76 28.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 110.043 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.8 -41.83 16.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.2 -37.51 63.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -63.66 -48.54 76.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -54.39 -34.06 60.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.36 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.66 -46.51 63.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 4.9 tttm -65.23 -56.57 12.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -45.52 -41.9 10.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -90.51 45.61 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -165.23 -43.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.615 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -53.76 -52.83 58.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 2.7 mtm -44.33 -41.05 5.75 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 111.014 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.471 ' O ' ' CD2' ' A' ' 90' ' ' TYR . 12.7 p90 -142.08 96.98 6.44 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 111.026 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 95.56 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.032 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.11 90.82 3.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -43.81 -80.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 108.019 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -55.5 154.55 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -50.9 -73.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 51.38 102.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 69.12 -177.95 0.22 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -138.7 -174.24 3.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.512 ' O ' ' CZ ' ' A' ' 60' ' ' PHE . . . -171.55 109.06 0.3 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.731 HG21 ' O ' ' A' ' 58' ' ' GLU . 1.9 p -175.51 108.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.705 HD12 HG13 ' A' ' 103' ' ' ILE . 0.4 OUTLIER -159.59 129.49 5.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.303 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.431 ' N ' HD13 ' A' ' 101' ' ' LEU . . . -110.22 104.78 13.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.705 HG13 HD12 ' A' ' 101' ' ' LEU . 8.8 mt -99.85 119.29 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 3.6 mtpt -107.96 109.46 20.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.509 ' C ' ' CD1' ' A' ' 105' ' ' PHE . 3.1 p90 -125.63 155.8 40.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -125.75 128.36 47.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.299 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 8.0 p -68.6 122.15 19.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 50' ' ' GLU . 2.6 mt -74.14 112.57 10.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 139.07 -92.58 0.2 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 111' ' ' ASP . 22.4 ttt85 -40.61 152.32 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 110.314 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.406 ' N ' ' HG2' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -77.26 151.14 35.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.293 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.23 175.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.965 . . . . . . . . 0 0 . 1 stop_ save_